A0A077ZIK4_TRITR Loading...

Beta-lactamase domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZIK4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 353 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	30.7	Very low	28.4	Very low	236 Å²	236	167.3 Å²	167.3	100%	1.163	82%	0.821	S	S	*	*				0	99.8	0	-86	-177	-134.8	0	0	107.7
2	Y	22.9	Very low	28.8	Very low	238 Å²	238	160.4 Å²	160.4	93%	0.933	81%	0.811	S	S	*	*			trans	-138.8	96.7	169.2	-91.7	-82.7	0	0	0	106.4
3	A	25.1	Very low	28.7	Very low	85 Å²	85	158.8 Å²	158.8	70%	0.702	81%	0.814	S	S	*	*			trans	-75.5	154.8	147.9	0	0	0	0	0	105.9
4	E	23.4	Very low	29.1	Very low	160 Å²	160	161.6 Å²	161.6	75%	0.748	82%	0.817	S	S	*	*			cis	-174	152.3	32.9	-140.6	167.7	-148.3	0	0	104.7
5	H	32.2	Very low	29.1	Very low	172 Å²	172	164.5 Å²	164.5	80%	0.796	82%	0.823	S	S	*	*			trans	-176.7	98	132	-88.5	2.2	0	0	0	109.4
6	S	26.9	Very low	29.3	Very low	105 Å²	105	161.1 Å²	161.1	73%	0.734	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-50.1	132.3	158.9	45.4	0	0	0	0	112.5
7	Y	28.5	Very low	29.5	Very low	222 Å²	222	157.5 Å²	157.5	87%	0.871	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-98.5	127	158.4	-87	-89.4	0	0	0	108.8
8	P	32.2	Very low	29.7	Very low	103 Å²	103	155.6 Å²	155.6	67%	0.669	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-77.6	139.7	178.9	29.8	-30.9	0	0	0	111.5	H10	P8-H10 PolarHBondContact O-N 3.13Å
9	E	26.9	Very low	30.2	Very low	171 Å²	171	152.4 Å²	152.4	80%	0.799	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-60.6	121.8	167.7	-68.9	179.7	148.6	0	0	110.4
10	H	35	Very low	30.6	Very low	178 Å²	178	149.2 Å²	149.2	82%	0.824	80%	0.795	S	S	*	*			trans	-108	99.8	160	-92.6	-63.9	0	0	0	109.5	P8 A12	P8-H10 PolarHBondContact O-N 3.13Å; H10-A12 PolarHBondContact O-N 3.4Å; H10-A12 VanDerWaalsContact O-N 3.13Å
11	H	28.6	Very low	31	Very low	170 Å²	170	148.5 Å²	148.5	79%	0.787	80%	0.797	S	S	*	*			trans	-62.6	104	157.5	-81.5	-67.4	0	0	0	109.4
12	A	32.9	Very low	32.1	Very low	85 Å²	85	140.7 Å²	140.7	70%	0.702	76%	0.756	S	S	*	*			trans	-114.1	96.8	157.9	0	0	0	0	0	108	H10 K14	H10-A12 PolarHBondContact O-N 3.4Å; H10-A12 VanDerWaalsContact O-N 3.13Å; A12-K14 PolarHBondContact O-N 3.24Å
13	T	27.7	Very low	33.5	Very low	139 Å²	139	134.1 Å²	134.1	85%	0.853	74%	0.741	S	S	*	*			trans	-62.8	85.9	164.2	42	0	0	0	0	109.1	K15	T13-K15 PolarHBondContact O-N 2.93Å
14	K	34.1	Very low	35.3	Very low	198 Å²	198	132.6 Å²	132.6	86%	0.861	72%	0.723	S	S	*	*			trans	-74	116.5	158.5	-92.2	-177.1	176.8	178.6	0	107.1	A12 S16	A12-K14 PolarHBondContact O-N 3.24Å; K14-S16 PolarHBondContact O-N 3.03Å
15	K	30.1	Very low	37.5	Very low	206 Å²	206	126.1 Å²	126.1	90%	0.896	70%	0.695	S	S	*	*			trans	-43.9	115.6	164	-77.8	176.6	173.7	178.1	0	108.1	T13 S17	T13-K15 PolarHBondContact O-N 2.93Å; K15-S17 VanDerWaalsContact C-N 3.33Å; K15-S17 PolarHBondContact O-N 2.85Å
16	S	31	Very low	39.1	Very low	109 Å²	109	123.4 Å²	123.4	76%	0.762	69%	0.686	S	S	*	*			trans	-58.9	101.6	165.1	175.4	0	0	0	0	106.4	K14 T18	K14-S16 PolarHBondContact O-N 3.03Å; S16-T18 PolarHBondContact O-N 3.43Å
17	S	33.1	Very low	41.4	Very low	101 Å²	101	119.4 Å²	119.4	71%	0.706	66%	0.656	S	S	*	*			trans	-64.6	114.3	159.3	52.8	0	0	0	0	105.5	K15 P19	K15-S17 VanDerWaalsContact C-N 3.33Å; K15-S17 PolarHBondContact O-N 2.85Å; S17-P19 VanDerWaalsContact O-N 3.13Å
18	T	33.7	Very low	42.9	Very low	123 Å²	123	113.3 Å²	113.3	76%	0.755	64%	0.642	S	S	*	*			trans	-44.4	122.2	165.1	-36.6	0	0	0	0	107.3	S16 A20	S16-T18 PolarHBondContact O-N 3.43Å; T18-A20 PolarHBondContact O-N 2.96Å; T18-A20 VanDerWaalsContact O-N 3.1Å
19	P	38.6	Very low	44.2	Very low	94 Å²	94	114.9 Å²	114.9	61%	0.61	65%	0.645	S	S	*	*			trans	-57	124.9	175	-17.2	28.4	0	0	0	106.7	S17 T21	S17-P19 VanDerWaalsContact O-N 3.13Å; P19-T21 PolarHBondContact O-N 3.3Å
20	A	37.8	Very low	46.4	Very low	88 Å²	88	111 Å²	111	73%	0.727	63%	0.627	S	S	*	*			trans	-48.1	128.9	167.7	0	0	0	0	0	107.3	T18 K22	T18-A20 PolarHBondContact O-N 2.96Å; T18-A20 VanDerWaalsContact O-N 3.1Å; A20-K22 PolarHBondContact O-N 2.95Å
21	T	40.1	Very low	48.9	Very low	135 Å²	135	108.9 Å²	108.9	83%	0.828	62%	0.617	S	S	*	*			trans	-50.4	105.7	-177.9	-22	0	0	0	0	107.8	P19 T23	P19-T21 PolarHBondContact O-N 3.3Å; T21-T23 PolarHBondContact O-N 3.42Å
22	K	54	Low	52	Low	72 Å²	72	103.9 Å²	103.9	31%	0.313	60%	0.6	S	S	.	*			trans	-63.1	105.8	178.8	-76.3	175.5	170.7	-173.2	0	106.7	A20 T24 D320 Q322	A20-K22 PolarHBondContact O-N 2.95Å; K22-T24 PolarHBondContact O-N 3.25Å; K22-D320 PolarHBondContact NZ-O 2.98Å; K22-Q322 VanDerWaalsContact CD-OE1 3.26Å
23	T	52.5	Low	55	Low	100 Å²	100	101.1 Å²	101.1	61%	0.613	57%	0.573	S	S	*	*			trans	-70	93.8	173.6	31.3	0	0	0	0	108.4	T21 Q63	T21-T23 PolarHBondContact O-N 3.42Å; T23-Q63 PolarHBondContact O-NE2 2.8Å
24	T	61.7	Low	58.3	Low	53 Å²	53	99.3 Å²	99.3	33%	0.325	56%	0.555	S	S	.	*			trans	-77.4	142.3	165.2	42.6	0	0	0	0	109.6	K22 D26 G62 Q266	K22-T24 PolarHBondContact O-N 3.25Å; T24-D26 PolarHBondContact O-N 3.27Å; T24-G62 WeakPolarHBondContact CA-O 3.44Å; T24-Q266 HydrophobicContact CG2-CB 4.31Å; T24-Q266 HydrophobicContact CG2-CG 4.21Å; T24-Q266 VanDerWaalsContact CG2-OE1 3.28Å
25	T	69.6	Low	61.2	Low	25 Å²	25	91.6 Å²	91.6	15%	0.153	53%	0.525	C	S	.	.			trans	-63.6	128.9	171	-57.7	0	0	0	0	109.6	L27 G62 Q63 V64	T25-L27 HydrophobicContact CG2-CD2 4.17Å; T25-L27 PolarHBondContact O-N 3Å; T25-G62 PolarHBondContact N-O 3.4Å; T25-G62 VanDerWaalsContact N-O 3.16Å; T25-Q63 WeakPolarHBondContact OG1-CA 3.33Å; T25-Q63 PolarHBondContact OG1-OE1 3.25Å; T25-V64 HydrophobicContact CG2-CB 4.44Å; T25-V64 PolarHBondContact OG1-N 2.98Å
26	D	66.6	Low	64.3	Low	114 Å²	114	87.7 Å²	87.7	61%	0.61	51%	0.508	S	S	*	.			trans	-76.5	110.3	165.7	-172.3	6.3	0	0	0	109.1	T24 T28	T24-D26 PolarHBondContact O-N 3.27Å; D26-T28 PolarHBondContact O-N 3.21Å; D26-T28 WeakPolarHBondContact OD1-CB 3.5Å; D26-T28 WeakPolarHBondContact OD1-CG2 3.44Å; D26-T28 PolarHBondContact OD1-N 2.89Å; D26-T28 PolarHBondContact OD1-OG1 2.84Å; D26-T28 VanDerWaalsContact OD1-OG1 3.06Å; D26-T28 WeakPolarHBondContact OD2-CG2 3.5Å; D26-T28 PolarHBondContact OD2-OG1 3.18Å
27	L	74	Confident	67.4	Low	21 Å²	21	85.2 Å²	85.2	11%	0.11	49%	0.486	C	S	.	.			trans	-83.6	10.7	177.7	-68.1	174.3	0	0	0	112.7	T25 N29 Q30 I33 L57 V64 E259 Y262	T25-L27 HydrophobicContact CG2-CD2 4.17Å; T25-L27 PolarHBondContact O-N 3Å; L27-N29 PolarHBondContact O-N 3.14Å; L27-Q30 PolarHBondContact O-N 2.91Å; L27-I33 HydrophobicContact CD2-CD1 3.94Å; L27-L57 HydrophobicContact CD1-CD1 4.07Å; L27-V64 HydrophobicContact CD1-CG2 4.35Å; L27-V64 HydrophobicContact CD2-CB 4.25Å; L27-V64 HydrophobicContact CD2-CG1 4.4Å; L27-V64 HydrophobicContact CD2-CG2 4.05Å; L27-V64 HydrophobicContact CG-CG2 4.46Å; L27-E259 HydrophobicContact CD1-CB 4.06Å; L27-E259 HydrophobicContact CD1-CG 3.98Å; L27-Y262 HydrophobicContact CD1-CD1 3.59Å; L27-Y262 HydrophobicContact CD1-CE1 3.94Å; L27-Y262 HydrophobicContact CD1-CG 4.5Å
28	T	60.1	Low	70.3	Confident	94 Å²	94	84.6 Å²	84.6	58%	0.577	49%	0.487	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.4	-24.4	179.2	47	0	0	0	0	115.2	D26 Q30	D26-T28 PolarHBondContact O-N 3.21Å; D26-T28 WeakPolarHBondContact OD1-CB 3.5Å; D26-T28 WeakPolarHBondContact OD1-CG2 3.44Å; D26-T28 PolarHBondContact OD1-N 2.89Å; D26-T28 PolarHBondContact OD1-OG1 2.84Å; D26-T28 VanDerWaalsContact OD1-OG1 3.06Å; D26-T28 WeakPolarHBondContact OD2-CG2 3.5Å; D26-T28 PolarHBondContact OD2-OG1 3.18Å; T28-Q30 PolarHBondContact O-N 3.36Å
29	N	60.2	Low	73.3	Confident	137 Å²	137	80 Å²	80	73%	0.733	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.9	-12	178.1	-76.4	-12.2	0	0	0	113.8	L27 Q31	L27-N29 PolarHBondContact O-N 3.14Å; N29-Q31 WeakPolarHBondContact O-CG 3.25Å; N29-Q31 PolarHBondContact O-N 2.82Å
30	Q	73.7	Confident	76	Confident	89 Å²	89	75.6 Å²	75.6	42%	0.416	43%	0.43	S	S	.	.			trans	49.9	34.2	170.1	-70.7	-168	-32.7	0	0	113.8	L27 T28 H84	L27-Q30 PolarHBondContact O-N 2.91Å; T28-Q30 PolarHBondContact O-N 3.36Å; Q30-H84 PolarHBondContact O-NE2 3.37Å
31	Q	87.4	Confident	78.8	Confident	133 Å²	133	73.4 Å²	73.4	62%	0.621	41%	0.413	S	S	*	.			trans	-116.6	147	177.3	-68.4	-50	-58.1	0	0	110.4	N29 I33	N29-Q31 WeakPolarHBondContact O-CG 3.25Å; N29-Q31 PolarHBondContact O-N 2.82Å; Q31-I33 PolarHBondContact O-N 3.12Å
32	P	93.9	Very high	81.5	Confident	65 Å²	65	68.3 Å²	68.3	42%	0.422	39%	0.386	S	S	.	.			trans	-54	141.1	170.5	-24.2	34	0	0	0	111.5	N67 I83	P32-N67 CarbonylContact C-O 3.38Å; P32-N67 VanDerWaalsContact CA-O 3.28Å; P32-N67 WeakPolarHBondContact CA-O 3.35Å; P32-I83 HydrophobicContact CB-CG2 4.35Å; P32-I83 HydrophobicContact CG-CD1 4.4Å; P32-I83 HydrophobicContact CG-CG1 4.47Å; P32-I83 HydrophobicContact CG-CG2 4.33Å
33	I	95.8	Very high	83.5	Confident	28 Å²	28	64.9 Å²	64.9	14%	0.144	37%	0.371	C	S	.	.	B	Isolated β-bridge	trans	-106.5	107.5	173.8	-64.3	169.8	0	0	0	107	L27 Q31 K36 V64 L66 N67	L27-I33 HydrophobicContact CD2-CD1 3.94Å; Q31-I33 PolarHBondContact O-N 3.12Å; I33-K36 HydrophobicContact CG2-CD 4.33Å; I33-K36 HydrophobicContact CG2-CG 4.17Å; I33-V64 HydrophobicContact CD1-CB 3.97Å; I33-V64 HydrophobicContact CD1-CG1 3.64Å; I33-L66 WeakPolarHBondContact O-CA 3.21Å; I33-L66 WeakPolarHBondContact O-CD1 3.27Å; I33-N67 HydrophobicContact CB-CB 3.91Å; I33-N67 HydrophobicContact CD1-CB 4.25Å; I33-N67 HydrophobicContact CG1-CB 4.23Å; I33-N67 PolarHBondContact N-O 3.18Å; I33-N67 PolarHBondContact O-N 2.99Å
34	E	95.8	Very high	85.6	Confident	101 Å²	101	62 Å²	62	47%	0.472	35%	0.351	S	S	.	.			trans	-63.1	156.3	168.7	-64.9	-60.1	156.1	0	0	110.7	K36 K68	E34-K36 PolarHBondContact O-N 3.31Å; E34-K68 VanDerWaalsContact CD-NZ 3.33Å; E34-K68 WeakPolarHBondContact OE1-CE 3.42Å; E34-K68 IonicContact OE1-NZ 2.7Å; E34-K68 PolarHBondContact OE1-NZ 3Å; E34-K68 VanDerWaalsContact OE1-NZ 3.16Å; E34-K68 IonicContact OE2-NZ 3.59Å; E34-K68 PolarHBondContact OE2-NZ 3.1Å
35	P	96.5	Very high	87.2	Confident	36 Å²	36	65.1 Å²	65.1	23%	0.234	36%	0.362	C	S	.	.			trans	-50.2	124	179.3	-26.2	31.4	0	0	0	113.5	S40 A41 E44 L66	P35-S40 WeakPolarHBondContact CA-OG 3.41Å; P35-S40 WeakPolarHBondContact CB-OG 3.49Å; P35-A41 HydrophobicContact CB-CB 4.04Å; P35-E44 HydrophobicContact CG-CB 4.03Å; P35-E44 WeakPolarHBondContact CG-OE2 3.28Å; P35-L66 HydrophobicContact CG-CD1 3.97Å
36	K	94.9	Very high	88.4	Confident	124 Å²	124	66.1 Å²	66.1	54%	0.539	37%	0.366	S	S	.	.			trans	-88.9	-18.7	179.2	-66.3	-170.4	-178.5	161.4	0	114.4	I33 E34 S40 V64 I65	I33-K36 HydrophobicContact CG2-CD 4.33Å; I33-K36 HydrophobicContact CG2-CG 4.17Å; E34-K36 PolarHBondContact O-N 3.31Å; K36-S40 PolarHBondContact N-OG 3.41Å; K36-V64 WeakPolarHBondContact CE-O 3.3Å; K36-V64 PolarHBondContact NZ-O 3.15Å; K36-I65 HydrophobicContact CB-CB 4.26Å; K36-I65 PolarHBondContact N-O 3.18Å; K36-I65 VanDerWaalsContact N-O 3.08Å
37	N	95	Very high	89.7	Confident	57 Å²	57	60.8 Å²	60.8	31%	0.305	34%	0.338	S	S	.	.	S	Bend	trans	-151.1	174.4	-177.1	66.9	28.8	0	0	0	112.5	T39 S40 A41 Q60	N37-T39 VanDerWaalsContact C-N 3.25Å; N37-T39 PolarHBondContact O-N 3.48Å; N37-T39 WeakPolarHBondContact OD1-CB 3.39Å; N37-T39 PolarHBondContact OD1-N 3.49Å; N37-T39 VanDerWaalsContact OD1-N 3.1Å; N37-S40 PolarHBondContact N-OG 2.86Å; N37-S40 PolarHBondContact O-N 3.17Å; N37-S40 PolarHBondContact O-OG 3.03Å; N37-S40 PolarHBondContact OD1-N 3Å; N37-S40 PolarHBondContact OD1-OG 3.09Å; N37-S40 VanDerWaalsContact OD1-OG 3.13Å; N37-A41 WeakPolarHBondContact O-CB 3.2Å; N37-A41 PolarHBondContact O-N 3.43Å; N37-Q60 PolarHBondContact ND2-OE1 3.43Å
38	A	95.1	Very high	90.7	Very high	88 Å²	88	63.6 Å²	63.6	73%	0.727	36%	0.355	S	S	*	.	H	α-helix	trans	-57	-36	-179.3	0	0	0	0	0	113.2	A41 G42	A38-A41 PolarHBondContact O-N 3.28Å; A38-G42 PolarHBondContact O-N 3.34Å
39	T	95.1	Very high	92.2	Very high	27 Å²	27	64.9 Å²	64.9	17%	0.166	36%	0.355	C	S	.	.	H	α-helix	trans	-63.4	-52.3	176.3	-58.7	0	0	0	0	111.3	N37 A41 G42 I43 Q348	N37-T39 VanDerWaalsContact C-N 3.25Å; N37-T39 PolarHBondContact O-N 3.48Å; N37-T39 WeakPolarHBondContact OD1-CB 3.39Å; N37-T39 PolarHBondContact OD1-N 3.49Å; N37-T39 VanDerWaalsContact OD1-N 3.1Å; T39-A41 VanDerWaalsContact C-N 3.28Å; T39-A41 PolarHBondContact O-N 3.44Å; T39-G42 PolarHBondContact O-N 3.19Å; T39-I43 HydrophobicContact CG2-CD1 4.1Å; T39-I43 WeakPolarHBondContact O-CG1 3.47Å; T39-I43 PolarHBondContact O-N 3.05Å; T39-Q348 HydrophobicContact CG2-CB 4.33Å; T39-Q348 WeakPolarHBondContact CG2-O 3.38Å
40	S	96.4	Very high	93.7	Very high	0 Å²	0	64 Å²	64	0%	0	35%	0.345	C	S	.	.	H	α-helix	trans	-62.6	-33.9	176.9	49.7	0	0	0	0	113	P35 K36 N37 I43 E44 I65	P35-S40 WeakPolarHBondContact CA-OG 3.41Å; P35-S40 WeakPolarHBondContact CB-OG 3.49Å; K36-S40 PolarHBondContact N-OG 3.41Å; N37-S40 PolarHBondContact N-OG 2.86Å; N37-S40 PolarHBondContact O-N 3.17Å; N37-S40 PolarHBondContact O-OG 3.03Å; N37-S40 PolarHBondContact OD1-N 3Å; N37-S40 PolarHBondContact OD1-OG 3.09Å; N37-S40 VanDerWaalsContact OD1-OG 3.13Å; S40-I43 PolarHBondContact O-N 3.44Å; S40-E44 PolarHBondContact O-N 3.36Å; S40-I65 WeakPolarHBondContact CB-O 3.48Å
41	A	96.8	Very high	94.5	Very high	43 Å²	43	66.4 Å²	66.4	36%	0.355	36%	0.36	S	S	.	.	H	α-helix	trans	-70.2	-41.6	178.7	0	0	0	0	0	111.5	P35 N37 A38 T39 I43 E44 Q45	P35-A41 HydrophobicContact CB-CB 4.04Å; N37-A41 WeakPolarHBondContact O-CB 3.2Å; N37-A41 PolarHBondContact O-N 3.43Å; A38-A41 PolarHBondContact O-N 3.28Å; T39-A41 VanDerWaalsContact C-N 3.28Å; T39-A41 PolarHBondContact O-N 3.44Å; A41-I43 VanDerWaalsContact C-N 3.33Å; A41-I43 PolarHBondContact O-N 3Å; A41-E44 PolarHBondContact O-N 2.93Å; A41-Q45 WeakPolarHBondContact O-CB 3.28Å; A41-Q45 PolarHBondContact O-N 3.37Å
42	G	95.6	Very high	94.8	Very high	27 Å²	27	60.5 Å²	60.5	28%	0.278	33%	0.333	S	S	.	.	H	α-helix	trans	-64.7	-36.5	174.1	0	0	0	0	0	113	A38 T39 L46	A38-G42 PolarHBondContact O-N 3.34Å; T39-G42 PolarHBondContact O-N 3.19Å; G42-L46 PolarHBondContact O-N 2.95Å; G42-L46 VanDerWaalsContact O-N 3.11Å
43	I	96.3	Very high	94.8	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-62.3	-50.9	172.5	-70	164.5	0	0	0	110.6	T39 S40 A41 Q45 L46 L47 V58 L66 I325 L345 V349	T39-I43 HydrophobicContact CG2-CD1 4.1Å; T39-I43 WeakPolarHBondContact O-CG1 3.47Å; T39-I43 PolarHBondContact O-N 3.05Å; S40-I43 PolarHBondContact O-N 3.44Å; A41-I43 VanDerWaalsContact C-N 3.33Å; A41-I43 PolarHBondContact O-N 3Å; I43-Q45 VanDerWaalsContact C-N 3.34Å; I43-Q45 PolarHBondContact O-N 2.88Å; I43-L46 PolarHBondContact O-N 3.05Å; I43-L47 HydrophobicContact CG2-CD1 4.04Å; I43-L47 WeakPolarHBondContact O-CG 3.43Å; I43-L47 PolarHBondContact O-N 3.24Å; I43-L47 VanDerWaalsContact O-N 3.13Å; I43-V58 HydrophobicContact CD1-CG1 3.97Å; I43-V58 HydrophobicContact CD1-CG2 4Å; I43-V58 HydrophobicContact CG2-CG2 4.2Å; I43-L66 HydrophobicContact CB-CD2 4.45Å; I43-L66 HydrophobicContact CG2-CD2 3.93Å; I43-I325 HydrophobicContact CG2-CD1 4.44Å; I43-L345 HydrophobicContact CB-CD2 4.39Å; I43-L345 HydrophobicContact CG1-CB 4.44Å; I43-L345 HydrophobicContact CG1-CD2 3.93Å; I43-L345 HydrophobicContact CG2-CD1 4.16Å; I43-L345 HydrophobicContact CG2-CD2 4.44Å; I43-V349 HydrophobicContact CD1-CG2 3.67Å
44	E	95.9	Very high	94.9	Very high	40 Å²	40	56.3 Å²	56.3	19%	0.187	31%	0.307	C	S	.	.	H	α-helix	trans	-56.6	-48.4	177.2	171.1	174.2	-129.4	0	0	111.2	P35 S40 A41 L46 L47 V48 K68 Y70	P35-E44 HydrophobicContact CG-CB 4.03Å; P35-E44 WeakPolarHBondContact CG-OE2 3.28Å; S40-E44 PolarHBondContact O-N 3.36Å; A41-E44 PolarHBondContact O-N 2.93Å; E44-L46 VanDerWaalsContact C-N 3.33Å; E44-L46 PolarHBondContact O-N 3.32Å; E44-L47 PolarHBondContact O-N 2.94Å; E44-L47 VanDerWaalsContact O-N 3.11Å; E44-V48 HydrophobicContact CG-CG2 4.26Å; E44-V48 WeakPolarHBondContact O-CG2 3.49Å; E44-V48 PolarHBondContact O-N 3.38Å; E44-K68 WeakPolarHBondContact OE1-CD 3.5Å; E44-K68 WeakPolarHBondContact OE1-CE 3.43Å; E44-K68 IonicContact OE1-NZ 3.45Å; E44-K68 PolarHBondContact OE1-NZ 3.02Å; E44-Y70 WeakPolarHBondContact CG-OH 3.42Å; E44-Y70 PolarHBondContact OE1-OH 3.23Å
45	Q	95.9	Very high	95.1	Very high	118 Å²	118	51.5 Å²	51.5	55%	0.551	29%	0.285	S	S	*	.	H	α-helix	trans	-55.7	-48	-179.7	-177.4	-177.7	-14.1	0	0	111.6	A41 I43 L47 V48 E49	A41-Q45 WeakPolarHBondContact O-CB 3.28Å; A41-Q45 PolarHBondContact O-N 3.37Å; I43-Q45 VanDerWaalsContact C-N 3.34Å; I43-Q45 PolarHBondContact O-N 2.88Å; Q45-L47 VanDerWaalsContact C-N 3.31Å; Q45-L47 PolarHBondContact O-N 3.12Å; Q45-V48 PolarHBondContact O-N 3.02Å; Q45-E49 HydrophobicContact CG-CG 4.48Å; Q45-E49 WeakPolarHBondContact CG-OE1 3.28Å; Q45-E49 PolarHBondContact NE2-OE1 3.49Å; Q45-E49 WeakPolarHBondContact O-CG 3.37Å; Q45-E49 PolarHBondContact O-N 3.15Å
46	L	94.9	Very high	95.1	Very high	46 Å²	46	49.8 Å²	49.8	24%	0.241	27%	0.274	C	S	.	.	H	α-helix	trans	-62.4	-38.4	179.2	-175.5	67.2	0	0	0	112.1	G42 I43 E44 E49 K50 I341 L345	G42-L46 PolarHBondContact O-N 2.95Å; G42-L46 VanDerWaalsContact O-N 3.11Å; I43-L46 PolarHBondContact O-N 3.05Å; E44-L46 VanDerWaalsContact C-N 3.33Å; E44-L46 PolarHBondContact O-N 3.32Å; L46-E49 PolarHBondContact O-N 2.89Å; L46-K50 WeakPolarHBondContact O-CB 3.39Å; L46-K50 WeakPolarHBondContact O-CG 3.44Å; L46-K50 PolarHBondContact O-N 2.93Å; L46-I341 HydrophobicContact CD2-CG2 4.03Å; L46-L345 HydrophobicContact CB-CD2 4.41Å; L46-L345 HydrophobicContact CD2-CD2 3.44Å; L46-L345 VanDerWaalsContact CD2-CD2 3.44Å; L46-L345 HydrophobicContact CD2-CG 4.15Å; L46-L345 HydrophobicContact CG-CD2 4.5Å
47	L	94.7	Very high	95.3	Very high	2 Å²	2	43.9 Å²	43.9	1%	0.01	25%	0.248	C	C	.	.	H	α-helix	trans	-66.6	-41.2	178.3	-68.1	173.7	0	0	0	111.6	I43 E44 Q45 K50 N51 F52 V56 L327 L345	I43-L47 HydrophobicContact CG2-CD1 4.04Å; I43-L47 WeakPolarHBondContact O-CG 3.43Å; I43-L47 PolarHBondContact O-N 3.24Å; I43-L47 VanDerWaalsContact O-N 3.13Å; E44-L47 PolarHBondContact O-N 2.94Å; E44-L47 VanDerWaalsContact O-N 3.11Å; Q45-L47 VanDerWaalsContact C-N 3.31Å; Q45-L47 PolarHBondContact O-N 3.12Å; L47-K50 PolarHBondContact O-N 3.02Å; L47-N51 PolarHBondContact O-N 3.35Å; L47-F52 HydrophobicContact CB-CB 3.97Å; L47-F52 HydrophobicContact CB-CD1 4.28Å; L47-F52 HydrophobicContact CB-CG 4.39Å; L47-F52 HydrophobicContact CD1-CD1 4.32Å; L47-F52 HydrophobicContact CD2-CB 4.09Å; L47-F52 HydrophobicContact CD2-CD1 4.15Å; L47-F52 HydrophobicContact CD2-CD2 4.39Å; L47-F52 HydrophobicContact CD2-CG 3.95Å; L47-F52 HydrophobicContact CG-CD1 4.49Å; L47-F52 VanDerWaalsContact O-CB 3.27Å; L47-F52 WeakPolarHBondContact O-CB 3.36Å; L47-F52 PolarHBondContact O-N 2.93Å; L47-V56 HydrophobicContact CD1-CB 3.82Å; L47-V56 HydrophobicContact CD1-CG1 3.69Å; L47-V56 HydrophobicContact CD1-CG2 3.91Å; L47-L327 HydrophobicContact CD2-CD1 3.71Å; L47-L345 HydrophobicContact CD2-CD1 4.26Å
48	V	94.2	Very high	95.4	Very high	80 Å²	80	41.2 Å²	41.2	49%	0.485	23%	0.234	S	C	.	.	H	α-helix	trans	-62.9	-47.4	174.5	172.2	0	0	0	0	110.8	E44 Q45 K50 N51 Y70	E44-V48 HydrophobicContact CG-CG2 4.26Å; E44-V48 WeakPolarHBondContact O-CG2 3.49Å; E44-V48 PolarHBondContact O-N 3.38Å; Q45-V48 PolarHBondContact O-N 3.02Å; V48-K50 PolarHBondContact O-N 3.1Å; V48-N51 PolarHBondContact O-N 2.86Å; V48-Y70 HydrophobicContact CG2-CE1 4.12Å
49	E	92.8	Very high	95.5	Very high	121 Å²	121	37.2 Å²	37.2	57%	0.565	20%	0.2	S	C	*	.	H	α-helix	trans	-59.3	-30.3	176.9	-73.9	173.6	-172.3	0	0	112.9	Q45 L46 N51	Q45-E49 HydrophobicContact CG-CG 4.48Å; Q45-E49 WeakPolarHBondContact CG-OE1 3.28Å; Q45-E49 PolarHBondContact NE2-OE1 3.49Å; Q45-E49 WeakPolarHBondContact O-CG 3.37Å; Q45-E49 PolarHBondContact O-N 3.15Å; L46-E49 PolarHBondContact O-N 2.89Å; E49-N51 VanDerWaalsContact C-N 3.32Å
50	K	90	Very high	95.5	Very high	119 Å²	119	36.3 Å²	36.3	52%	0.517	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.1	2.1	177	-69.5	-70.1	178.3	-169.8	0	114	L46 L47 V48 F52 I341	L46-K50 WeakPolarHBondContact O-CB 3.39Å; L46-K50 WeakPolarHBondContact O-CG 3.44Å; L46-K50 PolarHBondContact O-N 2.93Å; L47-K50 PolarHBondContact O-N 3.02Å; V48-K50 PolarHBondContact O-N 3.1Å; K50-F52 PolarHBondContact O-N 2.83Å; K50-I341 HydrophobicContact CD-CD1 4.28Å; K50-I341 HydrophobicContact CG-CD1 4.34Å
51	N	90.8	Very high	95.3	Very high	140 Å²	140	41.1 Å²	41.1	75%	0.749	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.5	43.1	-172.7	-61.8	-57.6	0	0	0	112	L47 V48 E49	L47-N51 PolarHBondContact O-N 3.35Å; V48-N51 PolarHBondContact O-N 2.86Å; E49-N51 VanDerWaalsContact C-N 3.32Å
52	F	93.9	Very high	95	Very high	9 Å²	9	39.1 Å²	39.1	4%	0.039	20%	0.199	C	C	.	.			trans	-57.6	140.6	178.7	173.2	-114.9	0	0	0	111.5	L47 K50 G54 Y70 L327 Y338	L47-F52 HydrophobicContact CB-CB 3.97Å; L47-F52 HydrophobicContact CB-CD1 4.28Å; L47-F52 HydrophobicContact CB-CG 4.39Å; L47-F52 HydrophobicContact CD1-CD1 4.32Å; L47-F52 HydrophobicContact CD2-CB 4.09Å; L47-F52 HydrophobicContact CD2-CD1 4.15Å; L47-F52 HydrophobicContact CD2-CD2 4.39Å; L47-F52 HydrophobicContact CD2-CG 3.95Å; L47-F52 HydrophobicContact CG-CD1 4.49Å; L47-F52 VanDerWaalsContact O-CB 3.27Å; L47-F52 WeakPolarHBondContact O-CB 3.36Å; L47-F52 PolarHBondContact O-N 2.93Å; K50-F52 PolarHBondContact O-N 2.83Å; F52-G54 VanDerWaalsContact CE1-C 3.44Å; F52-G54 VanDerWaalsContact CZ-CA 3.43Å; F52-Y70 AromaticContact CD1-CD2 3.51Å; F52-Y70 HydrophobicContact CD1-CD2 3.51Å; F52-Y70 HydrophobicContact CD1-CE2 4.21Å; F52-Y70 HydrophobicContact CD1-CG 4.07Å; F52-Y70 AromaticContact CE1-CD2 3.77Å; F52-Y70 HydrophobicContact CE1-CD2 3.77Å; F52-Y70 HydrophobicContact CE1-CE2 4.41Å; F52-Y70 VanDerWaalsContact O-CB 3.26Å; F52-Y70 WeakPolarHBondContact O-CB 3.41Å; F52-L327 HydrophobicContact CD2-CD1 4.5Å; F52-L327 HydrophobicContact CD2-CD2 4.47Å; F52-L327 HydrophobicContact CE2-CD1 4.06Å; F52-L327 HydrophobicContact CE2-CD2 3.57Å; F52-L327 HydrophobicContact CE2-CG 3.77Å; F52-L327 HydrophobicContact CZ-CD1 4.2Å; F52-L327 HydrophobicContact CZ-CD2 4Å; F52-L327 HydrophobicContact CZ-CG 3.74Å; F52-Y338 HydrophobicContact CD2-CD1 4.34Å; F52-Y338 AromaticContact CD2-CE1 3.78Å; F52-Y338 HydrophobicContact CD2-CE1 3.78Å; F52-Y338 HydrophobicContact CD2-CE2 4.16Å; F52-Y338 AromaticContact CD2-CZ 3.68Å; F52-Y338 HydrophobicContact CE2-CE2 4.4Å
53	S	95.5	Very high	94.9	Very high	4 Å²	4	41.4 Å²	41.4	3%	0.028	20%	0.203	C	C	.	.			trans	-131	114.7	172.6	173.1	0	0	0	0	109	Y70 S329 N330	S53-Y70 WeakPolarHBondContact CA-O 3.42Å; S53-S329 PolarHBondContact O-OG 3.02Å; S53-N330 PolarHBondContact O-OD1 3.38Å; S53-N330 PolarHBondContact OG-OD1 3Å
54	G	97.7	Very high	94.9	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	154.6	-165.3	-167.5	0	0	0	0	0	112.1	F52 A69 Y70 N81 Y87 L328	F52-G54 VanDerWaalsContact CE1-C 3.44Å; F52-G54 VanDerWaalsContact CZ-CA 3.43Å; G54-A69 CarbonylContact O-C 3.56Å; G54-A69 VanDerWaalsContact O-CA 3.3Å; G54-A69 WeakPolarHBondContact O-CA 3.49Å; G54-Y70 PolarHBondContact N-O 2.9Å; G54-Y70 PolarHBondContact O-N 3.29Å; G54-N81 PolarHBondContact N-ND2 3.49Å; G54-Y87 VanDerWaalsContact CA-OH 3.31Å; G54-Y87 WeakPolarHBondContact CA-OH 3.38Å; G54-L328 CarbonylContact C-O 3.56Å; G54-L328 WeakPolarHBondContact CA-O 3.46Å
55	T	98.3	Very high	94.9	Very high	1 Å²	1	40 Å²	40	1%	0.006	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	140.1	174	-61.2	0	0	0	0	110.2	K68 T82 Y87 L328	T55-K68 WeakPolarHBondContact CA-O 3.29Å; T55-T82 PolarHBondContact OG1-O 3.5Å; T55-Y87 PolarHBondContact N-OH 3.39Å; T55-Y87 WeakPolarHBondContact OG1-CE2 3.38Å; T55-Y87 PolarHBondContact OG1-OH 2.8Å; T55-Y87 VanDerWaalsContact OG1-OH 3.14Å; T55-L328 PolarHBondContact N-O 3.34Å; T55-L328 PolarHBondContact O-N 3.02Å
56	V	98.3	Very high	94.9	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	135.1	171.4	69.4	0	0	0	0	109.8	L47 V58 L66 N67 K68 Y70 I325 I326	L47-V56 HydrophobicContact CD1-CB 3.82Å; L47-V56 HydrophobicContact CD1-CG1 3.69Å; L47-V56 HydrophobicContact CD1-CG2 3.91Å; V56-V58 HydrophobicContact CG2-CG2 4Å; V56-L66 HydrophobicContact CG1-CD2 3.7Å; V56-L66 HydrophobicContact CG1-CG 4.02Å; V56-N67 WeakPolarHBondContact O-CA 3.46Å; V56-K68 PolarHBondContact N-O 2.9Å; V56-K68 PolarHBondContact O-N 3.39Å; V56-Y70 HydrophobicContact CG1-CE2 3.85Å; V56-I325 HydrophobicContact CG2-CD1 4.09Å; V56-I325 HydrophobicContact CG2-CG1 4.14Å; V56-I326 CarbonylContact C-O 3.55Å; V56-I326 WeakPolarHBondContact CA-O 3.41Å
57	L	97.9	Very high	95.1	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	125.1	170.2	-173.6	159	0	0	0	108.6	L27 F59 V64 L66 N67 E259 Y262 I325 I326	L27-L57 HydrophobicContact CD1-CD1 4.07Å; L57-F59 HydrophobicContact CD2-CD1 3.78Å; L57-V64 HydrophobicContact CD2-CG1 4.22Å; L57-V64 HydrophobicContact CD2-CG2 4.17Å; L57-V64 HydrophobicContact CG-CG1 4.06Å; L57-L66 CarbonylContact C-O 3.49Å; L57-L66 WeakPolarHBondContact CA-O 3.3Å; L57-N67 HydrophobicContact CG-CB 4.45Å; L57-E259 HydrophobicContact CD1-CG 4.36Å; L57-Y262 HydrophobicContact CD1-CG 4.19Å; L57-Y262 HydrophobicContact CD2-CD2 3.75Å; L57-Y262 HydrophobicContact CD2-CE2 4.43Å; L57-Y262 HydrophobicContact CD2-CG 3.95Å; L57-I325 CarbonylContact O-C 3.49Å; L57-I325 WeakPolarHBondContact O-CA 3.4Å; L57-I326 HydrophobicContact CB-CB 4.37Å; L57-I326 PolarHBondContact N-O 3.01Å; L57-I326 PolarHBondContact O-N 2.92Å
58	V	97.9	Very high	95.2	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	135.3	179.2	-172.3	0	0	0	0	109.2	I43 V56 V64 I65 L66 I325 V349	I43-V58 HydrophobicContact CD1-CG1 3.97Å; I43-V58 HydrophobicContact CD1-CG2 4Å; I43-V58 HydrophobicContact CG2-CG2 4.2Å; V56-V58 HydrophobicContact CG2-CG2 4Å; V58-V64 WeakPolarHBondContact O-CA 3.3Å; V58-I65 HydrophobicContact CB-CD1 4.49Å; V58-I65 HydrophobicContact CB-CG1 3.98Å; V58-I65 HydrophobicContact CG1-CD1 3.83Å; V58-I65 HydrophobicContact CG1-CG1 3.83Å; V58-I65 WeakPolarHBondContact O-CG1 3.44Å; V58-I65 PolarHBondContact O-N 3.15Å; V58-L66 HydrophobicContact CB-CB 3.96Å; V58-L66 HydrophobicContact CG2-CB 3.99Å; V58-L66 HydrophobicContact CG2-CD2 3.94Å; V58-L66 HydrophobicContact CG2-CG 4.42Å; V58-L66 PolarHBondContact N-O 3.13Å; V58-L66 PolarHBondContact O-N 2.97Å; V58-I325 HydrophobicContact CG2-CD1 4.15Å; V58-I325 HydrophobicContact CG2-CG1 4.09Å; V58-V349 HydrophobicContact CG1-CG1 4.16Å; V58-V349 HydrophobicContact CG1-CG2 3.55Å
59	F	96.4	Very high	95.4	Very high	4 Å²	4	31.5 Å²	31.5	2%	0.018	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	140.5	176.4	57.9	-82.3	0	0	0	111.7	L57 Q63 V64 Y262 F317 G321 Q322 N323 G324 V349	L57-F59 HydrophobicContact CD2-CD1 3.78Å; F59-Q63 CarbonylContact C-O 3.52Å; F59-Q63 WeakPolarHBondContact CA-O 3.4Å; F59-Q63 WeakPolarHBondContact CB-O 3.41Å; F59-V64 HydrophobicContact CB-CG2 4.27Å; F59-Y262 HydrophobicContact CB-CE2 4.05Å; F59-Y262 AromaticContact CD1-CD2 3.68Å; F59-Y262 HydrophobicContact CD1-CD2 3.68Å; F59-Y262 AromaticContact CD1-CE2 3.69Å; F59-Y262 HydrophobicContact CD1-CE2 3.69Å; F59-Y262 HydrophobicContact CD2-CE2 4.07Å; F59-Y262 AromaticContact CE1-CD2 3.83Å; F59-Y262 HydrophobicContact CE1-CD2 3.83Å; F59-Y262 HydrophobicContact CE1-CE2 4.1Å; F59-Y262 HydrophobicContact CE2-CE2 4.44Å; F59-Y262 HydrophobicContact CG-CD2 4.17Å; F59-Y262 AromaticContact CG-CE2 3.68Å; F59-Y262 HydrophobicContact CG-CE2 3.68Å; F59-Y262 HydrophobicContact CZ-CD2 4.43Å; F59-Y262 HydrophobicContact CZ-CE2 4.44Å; F59-F317 HydrophobicContact CZ-CB 4.08Å; F59-G321 WeakPolarHBondContact CE2-O 3.08Å; F59-Q322 WeakPolarHBondContact CD2-O 3.43Å; F59-N323 CarbonylContact O-C 3.52Å; F59-N323 WeakPolarHBondContact O-CA 3.49Å; F59-G324 WeakPolarHBondContact CD1-O 3.23Å; F59-G324 VanDerWaalsContact CE2-N 3.31Å; F59-G324 VanDerWaalsContact CZ-CA 3.41Å; F59-G324 PolarHBondContact N-O 3.37Å; F59-G324 PolarHBondContact O-N 3.47Å; F59-V349 WeakPolarHBondContact O-CG1 3.47Å
60	Q	95.2	Very high	95.6	Very high	9 Å²	9	27.3 Å²	27.3	4%	0.042	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	135.6	174.4	-77.6	-178.9	-40	0	0	109	N37 G62 Q63 I65 Q322 N323 V349	N37-Q60 PolarHBondContact ND2-OE1 3.43Å; Q60-G62 PolarHBondContact O-N 3.01Å; Q60-Q63 PolarHBondContact N-O 3.45Å; Q60-Q63 WeakPolarHBondContact O-CA 3.39Å; Q60-Q63 WeakPolarHBondContact O-CB 3.47Å; Q60-Q63 PolarHBondContact O-N 3.31Å; Q60-I65 HydrophobicContact CB-CD1 4.21Å; Q60-I65 HydrophobicContact CB-CG2 4.45Å; Q60-I65 HydrophobicContact CG-CD1 3.7Å; Q60-Q322 CarbonylContact C-O 3.52Å; Q60-N323 VanDerWaalsContact CA-OD1 3.3Å; Q60-N323 WeakPolarHBondContact CA-OD1 3.27Å; Q60-V349 HydrophobicContact CG-CG1 3.59Å; Q60-V349 PolarHBondContact NE2-O 2.66Å
61	H	92.5	Very high	95.9	Very high	101 Å²	101	22.9 Å²	22.9	47%	0.468	12%	0.121	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.4	37.4	-178.2	-54.1	129.5	0	0	0	114.5	Q63 Q322 N323 S353	H61-Q63 PolarHBondContact O-N 3.34Å; H61-Q322 PolarHBondContact N-O 3.11Å; H61-N323 PolarHBondContact N-OD1 3.29Å; H61-S353 PolarHBondContact CE1-OXT 3.13Å; H61-S353 WeakPolarHBondContact NE2-CB 3.37Å; H61-S353 PolarHBondContact NE2-OXT 3.31Å; H61-S353 VanDerWaalsContact NE2-OXT 3.09Å
62	G	90.5	Very high	96.1	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.6	-0.2	-175.9	0	0	0	0	0	114	T24 T25 Q60 Y262 Q322	T24-G62 WeakPolarHBondContact CA-O 3.44Å; T25-G62 PolarHBondContact N-O 3.4Å; T25-G62 VanDerWaalsContact N-O 3.16Å; Q60-G62 PolarHBondContact O-N 3.01Å; G62-Y262 PolarHBondContact O-OH 3.25Å; G62-Q322 PolarHBondContact N-O 3.35Å
63	Q	93.3	Very high	96.3	Very high	75 Å²	75	20 Å²	20	35%	0.35	10%	0.1	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	130.1	-179	-63.1	-61	-47	0	0	112.2	T23 T25 F59 Q60 H61 I65	T23-Q63 PolarHBondContact O-NE2 2.8Å; T25-Q63 WeakPolarHBondContact OG1-CA 3.33Å; T25-Q63 PolarHBondContact OG1-OE1 3.25Å; F59-Q63 CarbonylContact C-O 3.52Å; F59-Q63 WeakPolarHBondContact CA-O 3.4Å; F59-Q63 WeakPolarHBondContact CB-O 3.41Å; Q60-Q63 PolarHBondContact N-O 3.45Å; Q60-Q63 WeakPolarHBondContact O-CA 3.39Å; Q60-Q63 WeakPolarHBondContact O-CB 3.47Å; Q60-Q63 PolarHBondContact O-N 3.31Å; H61-Q63 PolarHBondContact O-N 3.34Å; Q63-I65 PolarHBondContact O-N 3.42Å
64	V	95.9	Very high	96.3	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	122	174.8	-177.6	0	0	0	0	109.6	T25 L27 I33 K36 L57 V58 F59 L66 N67 Y262	T25-V64 HydrophobicContact CG2-CB 4.44Å; T25-V64 PolarHBondContact OG1-N 2.98Å; L27-V64 HydrophobicContact CD1-CG2 4.35Å; L27-V64 HydrophobicContact CD2-CB 4.25Å; L27-V64 HydrophobicContact CD2-CG1 4.4Å; L27-V64 HydrophobicContact CD2-CG2 4.05Å; L27-V64 HydrophobicContact CG-CG2 4.46Å; I33-V64 HydrophobicContact CD1-CB 3.97Å; I33-V64 HydrophobicContact CD1-CG1 3.64Å; K36-V64 WeakPolarHBondContact CE-O 3.3Å; K36-V64 PolarHBondContact NZ-O 3.15Å; L57-V64 HydrophobicContact CD2-CG1 4.22Å; L57-V64 HydrophobicContact CD2-CG2 4.17Å; L57-V64 HydrophobicContact CG-CG1 4.06Å; V58-V64 WeakPolarHBondContact O-CA 3.3Å; F59-V64 HydrophobicContact CB-CG2 4.27Å; V64-L66 WeakPolarHBondContact CG1-O 3.44Å; V64-N67 HydrophobicContact CG1-CB 4.07Å; V64-Y262 HydrophobicContact CG2-CE1 4.06Å; V64-Y262 HydrophobicContact CG2-CE2 4.23Å
65	I	96.1	Very high	96.1	Very high	11 Å²	11	24.1 Å²	24.1	6%	0.056	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	-10.9	-175.8	62.4	170.1	0	0	0	113.7	K36 S40 V58 Q60 Q63	K36-I65 HydrophobicContact CB-CB 4.26Å; K36-I65 PolarHBondContact N-O 3.18Å; K36-I65 VanDerWaalsContact N-O 3.08Å; S40-I65 WeakPolarHBondContact CB-O 3.48Å; V58-I65 HydrophobicContact CB-CD1 4.49Å; V58-I65 HydrophobicContact CB-CG1 3.98Å; V58-I65 HydrophobicContact CG1-CD1 3.83Å; V58-I65 HydrophobicContact CG1-CG1 3.83Å; V58-I65 WeakPolarHBondContact O-CG1 3.44Å; V58-I65 PolarHBondContact O-N 3.15Å; Q60-I65 HydrophobicContact CB-CD1 4.21Å; Q60-I65 HydrophobicContact CB-CG2 4.45Å; Q60-I65 HydrophobicContact CG-CD1 3.7Å; Q63-I65 PolarHBondContact O-N 3.42Å
66	L	97.3	Very high	95.9	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	133.3	172.7	179.9	62.5	0	0	0	107.9	I33 P35 I43 V56 L57 V58 V64 K68	I33-L66 WeakPolarHBondContact O-CA 3.21Å; I33-L66 WeakPolarHBondContact O-CD1 3.27Å; P35-L66 HydrophobicContact CG-CD1 3.97Å; I43-L66 HydrophobicContact CB-CD2 4.45Å; I43-L66 HydrophobicContact CG2-CD2 3.93Å; V56-L66 HydrophobicContact CG1-CD2 3.7Å; V56-L66 HydrophobicContact CG1-CG 4.02Å; L57-L66 CarbonylContact C-O 3.49Å; L57-L66 WeakPolarHBondContact CA-O 3.3Å; V58-L66 HydrophobicContact CB-CB 3.96Å; V58-L66 HydrophobicContact CG2-CB 3.99Å; V58-L66 HydrophobicContact CG2-CD2 3.94Å; V58-L66 HydrophobicContact CG2-CG 4.42Å; V58-L66 PolarHBondContact N-O 3.13Å; V58-L66 PolarHBondContact O-N 2.97Å; V64-L66 WeakPolarHBondContact CG1-O 3.44Å; L66-K68 HydrophobicContact CD1-CB 4.1Å
67	N	97.6	Very high	95.8	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	97.2	170.4	-178.4	20.1	0	0	0	107.7	P32 I33 V56 L57 V64 I83 E259	P32-N67 CarbonylContact C-O 3.38Å; P32-N67 VanDerWaalsContact CA-O 3.28Å; P32-N67 WeakPolarHBondContact CA-O 3.35Å; I33-N67 HydrophobicContact CB-CB 3.91Å; I33-N67 HydrophobicContact CD1-CB 4.25Å; I33-N67 HydrophobicContact CG1-CB 4.23Å; I33-N67 PolarHBondContact N-O 3.18Å; I33-N67 PolarHBondContact O-N 2.99Å; V56-N67 WeakPolarHBondContact O-CA 3.46Å; L57-N67 HydrophobicContact CG-CB 4.45Å; V64-N67 HydrophobicContact CG1-CB 4.07Å; N67-I83 WeakPolarHBondContact O-CG2 3.35Å; N67-I83 WeakPolarHBondContact OD1-CG2 3.36Å; N67-E259 PolarHBondContact ND2-OE1 3.03Å
68	K	97.6	Very high	95.7	Very high	45 Å²	45	47 Å²	47	20%	0.196	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148	149.2	-169.3	-163	166.4	178.4	179.4	0	111.7	E34 E44 T55 V56 L66 Y70	E34-K68 VanDerWaalsContact CD-NZ 3.33Å; E34-K68 WeakPolarHBondContact OE1-CE 3.42Å; E34-K68 IonicContact OE1-NZ 2.7Å; E34-K68 PolarHBondContact OE1-NZ 3Å; E34-K68 VanDerWaalsContact OE1-NZ 3.16Å; E34-K68 IonicContact OE2-NZ 3.59Å; E34-K68 PolarHBondContact OE2-NZ 3.1Å; E44-K68 WeakPolarHBondContact OE1-CD 3.5Å; E44-K68 WeakPolarHBondContact OE1-CE 3.43Å; E44-K68 IonicContact OE1-NZ 3.45Å; E44-K68 PolarHBondContact OE1-NZ 3.02Å; T55-K68 WeakPolarHBondContact CA-O 3.29Å; V56-K68 PolarHBondContact N-O 2.9Å; V56-K68 PolarHBondContact O-N 3.39Å; L66-K68 HydrophobicContact CD1-CB 4.1Å; K68-Y70 HydrophobicContact CB-CE2 4.12Å; K68-Y70 HydrophobicContact CD-CE1 4.35Å; K68-Y70 HydrophobicContact CG-CE1 4.45Å; K68-Y70 HydrophobicContact CG-CE2 4.25Å
69	A	97.9	Very high	95.7	Very high	23 Å²	23	50.2 Å²	50.2	19%	0.19	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	150	-179.8	0	0	0	0	0	111.6	G54 N81	G54-A69 CarbonylContact O-C 3.56Å; G54-A69 VanDerWaalsContact O-CA 3.3Å; G54-A69 WeakPolarHBondContact O-CA 3.49Å; A69-N81 HydrophobicContact CB-CB 3.98Å
70	Y	97	Very high	95.7	Very high	32 Å²	32	55 Å²	55	13%	0.125	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	153.9	-174.2	-53.2	-93.4	0	0	0	110.4	E44 V48 F52 S53 G54 V56 K68 N81	E44-Y70 WeakPolarHBondContact CG-OH 3.42Å; E44-Y70 PolarHBondContact OE1-OH 3.23Å; V48-Y70 HydrophobicContact CG2-CE1 4.12Å; F52-Y70 AromaticContact CD1-CD2 3.51Å; F52-Y70 HydrophobicContact CD1-CD2 3.51Å; F52-Y70 HydrophobicContact CD1-CE2 4.21Å; F52-Y70 HydrophobicContact CD1-CG 4.07Å; F52-Y70 AromaticContact CE1-CD2 3.77Å; F52-Y70 HydrophobicContact CE1-CD2 3.77Å; F52-Y70 HydrophobicContact CE1-CE2 4.41Å; F52-Y70 VanDerWaalsContact O-CB 3.26Å; F52-Y70 WeakPolarHBondContact O-CB 3.41Å; S53-Y70 WeakPolarHBondContact CA-O 3.42Å; G54-Y70 PolarHBondContact N-O 2.9Å; G54-Y70 PolarHBondContact O-N 3.29Å; V56-Y70 HydrophobicContact CG1-CE2 3.85Å; K68-Y70 HydrophobicContact CB-CE2 4.12Å; K68-Y70 HydrophobicContact CD-CE1 4.35Å; K68-Y70 HydrophobicContact CG-CE1 4.45Å; K68-Y70 HydrophobicContact CG-CE2 4.25Å; Y70-N81 WeakPolarHBondContact O-CB 3.46Å; Y70-N81 PolarHBondContact O-ND2 3.22Å
71	G	96.1	Very high	95.9	Very high	26 Å²	26	55 Å²	55	27%	0.268	27%	0.265	S	S	.	.	S	Bend	trans	73.2	-153	175.3	0	0	0	0	0	114.1	H80 N81	G71-H80 PolarHBondContact O-ND1 3.34Å; G71-N81 PolarHBondContact O-N 3.04Å
72	W	95.7	Very high	96.1	Very high	68 Å²	68	53 Å²	53	26%	0.258	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	133.1	-168.7	-60.4	105.4	0	0	0	111.6	Q75 R78 H80 N81 N330	W72-Q75 HydrophobicContact CB-CB 3.78Å; W72-Q75 HydrophobicContact CB-CG 4.46Å; W72-Q75 HydrophobicContact CD2-CB 4.28Å; W72-Q75 HydrophobicContact CD2-CG 4.21Å; W72-Q75 HydrophobicContact CG-CB 3.75Å; W72-Q75 HydrophobicContact CG-CG 3.9Å; W72-R78 HydrophobicContact CH2-CB 4.47Å; W72-R78 VanDerWaalsContact CZ3-C 3.48Å; W72-R78 HydrophobicContact CZ3-CB 4.04Å; W72-H80 AromaticContact CE3-CE1 3.72Å; W72-H80 AromaticContact CE3-ND1 3.71Å; W72-H80 AromaticContact CH2-CE1 3.25Å; W72-H80 WeakPolarHBondContact CH2-CE1 3.27Å; W72-H80 AromaticContact CH2-NE2 3.32Å; W72-H80 VanDerWaalsContact CH2-NE2 3.32Å; W72-H80 WeakPolarHBondContact CH2-NE2 3.48Å; W72-H80 AromaticContact CZ2-CE1 3.69Å; W72-H80 AromaticContact CZ3-CD2 3.7Å; W72-H80 AromaticContact CZ3-CE1 3.26Å; W72-H80 WeakPolarHBondContact CZ3-CE1 3.28Å; W72-H80 AromaticContact CZ3-CG 3.93Å; W72-H80 AromaticContact CZ3-ND1 3.66Å; W72-H80 AromaticContact CZ3-NE2 3.27Å; W72-H80 VanDerWaalsContact CZ3-NE2 3.27Å; W72-H80 WeakPolarHBondContact CZ3-NE2 3.36Å; W72-N81 PolarHBondContact O-ND2 3.04Å; W72-N81 PolarHBondContact O-OD1 3.39Å; W72-N330 PolarHBondContact O-ND2 3.48Å
73	K	96.9	Very high	96.4	Very high	21 Å²	21	53.1 Å²	53.1	9%	0.091	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	-45.2	164.5	-172.4	179.4	60.9	172.9	0	110.2	I79 N81 T85 N222 Q223 A225 L226	K73-I79 HydrophobicContact CB-CG2 4.36Å; K73-I79 VanDerWaalsContact CE-CG2 3.44Å; K73-I79 PolarHBondContact N-O 3.3Å; K73-N81 WeakPolarHBondContact CA-OD1 3.33Å; K73-N81 VanDerWaalsContact CB-OD1 3.29Å; K73-N81 WeakPolarHBondContact CB-OD1 3.42Å; K73-N81 PolarHBondContact N-OD1 2.87Å; K73-N81 VanDerWaalsContact N-OD1 3.13Å; K73-T85 HydrophobicContact CB-CG2 4.47Å; K73-T85 HydrophobicContact CD-CG2 3.86Å; K73-T85 HydrophobicContact CG-CG2 3.88Å; K73-N222 PolarHBondContact NZ-O 2.78Å; K73-Q223 VanDerWaalsContact NZ-OE1 3.16Å; K73-A225 HydrophobicContact CG-CB 4.03Å; K73-L226 WeakPolarHBondContact O-CB 3.47Å; K73-L226 PolarHBondContact O-N 3.01Å
74	D	96.1	Very high	96.6	Very high	12 Å²	12	51.6 Å²	51.6	6%	0.064	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	94.6	174.3	-177.9	-20.4	0	0	0	108.7	A76 R77 R78 I79 L226 Y228	D74-A76 VanDerWaalsContact C-N 3.32Å; D74-A76 PolarHBondContact O-N 2.99Å; D74-A76 PolarHBondContact OD1-N 3.39Å; D74-A76 VanDerWaalsContact OD1-N 3.16Å; D74-R77 HydrophobicContact CB-CB 4.35Å; D74-R77 CarbonylContact O-C 3.55Å; D74-R77 PolarHBondContact O-N 3.26Å; D74-R77 PolarHBondContact OD1-N 3.04Å; D74-R77 VanDerWaalsContact OD2-CD 3.23Å; D74-R77 WeakPolarHBondContact OD2-CD 3.46Å; D74-R77 VanDerWaalsContact OD2-CG 3.31Å; D74-R77 WeakPolarHBondContact OD2-CG 3.46Å; D74-R77 IonicContact OD2-CZ 2.66Å; D74-R77 IonicContact OD2-NE 3.24Å; D74-R77 IonicContact OD2-NH1 3.76Å; D74-R77 PolarHBondContact OD2-NH1 3.42Å; D74-R78 PolarHBondContact O-N 3.26Å; D74-I79 HydrophobicContact CB-CB 4.17Å; D74-I79 HydrophobicContact CB-CD1 4.31Å; D74-I79 HydrophobicContact CB-CG1 4.48Å; D74-I79 PolarHBondContact N-O 3.08Å; D74-I79 PolarHBondContact O-N 2.86Å; D74-L226 HydrophobicContact CB-CD1 3.89Å; D74-L226 HydrophobicContact CB-CG 4.37Å; D74-Y228 WeakPolarHBondContact CA-OH 3.23Å
75	Q	94.5	Very high	96.7	Very high	78 Å²	78	51.6 Å²	51.6	36%	0.364	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-37	-178.2	-173.8	178	-2.2	0	0	112.6	W72 R77 R78 Y228 P235	W72-Q75 HydrophobicContact CB-CB 3.78Å; W72-Q75 HydrophobicContact CB-CG 4.46Å; W72-Q75 HydrophobicContact CD2-CB 4.28Å; W72-Q75 HydrophobicContact CD2-CG 4.21Å; W72-Q75 HydrophobicContact CG-CB 3.75Å; W72-Q75 HydrophobicContact CG-CG 3.9Å; Q75-R77 VanDerWaalsContact C-N 3.33Å; Q75-R77 PolarHBondContact O-N 3.19Å; Q75-R78 PolarHBondContact O-N 3.18Å; Q75-R78 VanDerWaalsContact O-N 3.14Å; Q75-Y228 HydrophobicContact CB-CE1 3.86Å; Q75-Y228 PolarHBondContact N-OH 3.08Å; Q75-P235 PolarHBondContact OE1-O 3.21Å
76	A	94.4	Very high	96.8	Very high	96 Å²	96	51.3 Å²	51.3	79%	0.793	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.1	-38.3	-178.3	0	0	0	0	0	111.1	D74 R78	D74-A76 VanDerWaalsContact C-N 3.32Å; D74-A76 PolarHBondContact O-N 2.99Å; D74-A76 PolarHBondContact OD1-N 3.39Å; D74-A76 VanDerWaalsContact OD1-N 3.16Å; A76-R78 VanDerWaalsContact C-N 3.32Å
77	R	96	Very high	96.9	Very high	186 Å²	186	51.3 Å²	51.3	70%	0.702	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.6	3.6	174.1	-62	-171.4	-178.6	115.5	-9.1	114	D74 Q75 I79	D74-R77 HydrophobicContact CB-CB 4.35Å; D74-R77 CarbonylContact O-C 3.55Å; D74-R77 PolarHBondContact O-N 3.26Å; D74-R77 PolarHBondContact OD1-N 3.04Å; D74-R77 VanDerWaalsContact OD2-CD 3.23Å; D74-R77 WeakPolarHBondContact OD2-CD 3.46Å; D74-R77 VanDerWaalsContact OD2-CG 3.31Å; D74-R77 WeakPolarHBondContact OD2-CG 3.46Å; D74-R77 IonicContact OD2-CZ 2.66Å; D74-R77 IonicContact OD2-NE 3.24Å; D74-R77 IonicContact OD2-NH1 3.76Å; D74-R77 PolarHBondContact OD2-NH1 3.42Å; Q75-R77 VanDerWaalsContact C-N 3.33Å; Q75-R77 PolarHBondContact O-N 3.19Å; R77-I79 VanDerWaalsContact C-N 3.25Å; R77-I79 HydrophobicContact CB-CD1 3.79Å; R77-I79 HydrophobicContact CB-CG1 3.82Å; R77-I79 PolarHBondContact O-N 2.99Å
78	R	95.4	Very high	96.9	Very high	199 Å²	199	51.4 Å²	51.4	75%	0.751	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.1	38.6	-176.9	-48.4	-179.5	83.4	114.9	-0.3	112.9	W72 D74 Q75 A76	W72-R78 HydrophobicContact CH2-CB 4.47Å; W72-R78 VanDerWaalsContact CZ3-C 3.48Å; W72-R78 HydrophobicContact CZ3-CB 4.04Å; D74-R78 PolarHBondContact O-N 3.26Å; Q75-R78 PolarHBondContact O-N 3.18Å; Q75-R78 VanDerWaalsContact O-N 3.14Å; A76-R78 VanDerWaalsContact C-N 3.32Å
79	I	97.2	Very high	97	Very high	68 Å²	68	49.2 Å²	49.2	35%	0.349	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	116.6	177.1	-53.1	174.5	0	0	0	108.3	K73 D74 R77	K73-I79 HydrophobicContact CB-CG2 4.36Å; K73-I79 VanDerWaalsContact CE-CG2 3.44Å; K73-I79 PolarHBondContact N-O 3.3Å; D74-I79 HydrophobicContact CB-CB 4.17Å; D74-I79 HydrophobicContact CB-CD1 4.31Å; D74-I79 HydrophobicContact CB-CG1 4.48Å; D74-I79 PolarHBondContact N-O 3.08Å; D74-I79 PolarHBondContact O-N 2.86Å; R77-I79 VanDerWaalsContact C-N 3.25Å; R77-I79 HydrophobicContact CB-CD1 3.79Å; R77-I79 HydrophobicContact CB-CG1 3.82Å; R77-I79 PolarHBondContact O-N 2.99Å
80	H	97.5	Very high	97	Very high	105 Å²	105	48.2 Å²	48.2	49%	0.486	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	154.6	176.3	-75.9	-71.4	0	0	0	112.3	G71 W72	G71-H80 PolarHBondContact O-ND1 3.34Å; W72-H80 AromaticContact CE3-CE1 3.72Å; W72-H80 AromaticContact CE3-ND1 3.71Å; W72-H80 AromaticContact CH2-CE1 3.25Å; W72-H80 WeakPolarHBondContact CH2-CE1 3.27Å; W72-H80 AromaticContact CH2-NE2 3.32Å; W72-H80 VanDerWaalsContact CH2-NE2 3.32Å; W72-H80 WeakPolarHBondContact CH2-NE2 3.48Å; W72-H80 AromaticContact CZ2-CE1 3.69Å; W72-H80 AromaticContact CZ3-CD2 3.7Å; W72-H80 AromaticContact CZ3-CE1 3.26Å; W72-H80 WeakPolarHBondContact CZ3-CE1 3.28Å; W72-H80 AromaticContact CZ3-CG 3.93Å; W72-H80 AromaticContact CZ3-ND1 3.66Å; W72-H80 AromaticContact CZ3-NE2 3.27Å; W72-H80 VanDerWaalsContact CZ3-NE2 3.27Å; W72-H80 WeakPolarHBondContact CZ3-NE2 3.36Å
81	N	98.1	Very high	97	Very high	10 Å²	10	47.7 Å²	47.7	5%	0.053	24%	0.235	C	C	.	.	P	Polyproline II helix	trans	-62.6	146.9	163	-71.1	-38.3	0	0	0	109.5	G54 A69 Y70 G71 W72 K73 Y87 N330	G54-N81 PolarHBondContact N-ND2 3.49Å; A69-N81 HydrophobicContact CB-CB 3.98Å; Y70-N81 WeakPolarHBondContact O-CB 3.46Å; Y70-N81 PolarHBondContact O-ND2 3.22Å; G71-N81 PolarHBondContact O-N 3.04Å; W72-N81 PolarHBondContact O-ND2 3.04Å; W72-N81 PolarHBondContact O-OD1 3.39Å; K73-N81 WeakPolarHBondContact CA-OD1 3.33Å; K73-N81 VanDerWaalsContact CB-OD1 3.29Å; K73-N81 WeakPolarHBondContact CB-OD1 3.42Å; K73-N81 PolarHBondContact N-OD1 2.87Å; K73-N81 VanDerWaalsContact N-OD1 3.13Å; N81-Y87 WeakPolarHBondContact CB-OH 3.37Å; N81-Y87 PolarHBondContact ND2-OH 3.34Å; N81-Y87 PolarHBondContact OD1-OH 3.4Å; N81-N330 PolarHBondContact ND2-OD1 3.28Å
82	T	97.5	Very high	97.2	Very high	58 Å²	58	46.5 Å²	46.5	36%	0.356	22%	0.223	S	C	.	.			trans	-128.9	167.9	172.4	67.4	0	0	0	0	108.1	T55 H84 T85	T55-T82 PolarHBondContact OG1-O 3.5Å; T82-H84 PolarHBondContact O-N 3.14Å; T82-H84 VanDerWaalsContact O-N 3.08Å; T82-H84 PolarHBondContact OG1-N 2.85Å; T82-T85 PolarHBondContact N-OG1 2.82Å; T82-T85 VanDerWaalsContact O-CB 3.22Å; T82-T85 WeakPolarHBondContact O-CB 3.28Å; T82-T85 PolarHBondContact O-N 3.4Å; T82-T85 PolarHBondContact O-OG1 3.07Å; T82-T85 PolarHBondContact OG1-OG1 3.46Å
83	I	97.2	Very high	97.3	Very high	3 Å²	3	43.2 Å²	43.2	2%	0.015	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-20.6	174.3	55.9	162.9	0	0	0	113.1	P32 N67	P32-I83 HydrophobicContact CB-CG2 4.35Å; P32-I83 HydrophobicContact CG-CD1 4.4Å; P32-I83 HydrophobicContact CG-CG1 4.47Å; P32-I83 HydrophobicContact CG-CG2 4.33Å; N67-I83 WeakPolarHBondContact O-CG2 3.35Å; N67-I83 WeakPolarHBondContact OD1-CG2 3.36Å
84	H	96.8	Very high	97.4	Very high	42 Å²	42	42.3 Å²	42.3	19%	0.194	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87	-3	176.4	-51.5	-56.7	0	0	0	114	Q30 T82 Q86 E213	Q30-H84 PolarHBondContact O-NE2 3.37Å; T82-H84 PolarHBondContact O-N 3.14Å; T82-H84 VanDerWaalsContact O-N 3.08Å; T82-H84 PolarHBondContact OG1-N 2.85Å; H84-Q86 PolarHBondContact O-N 3.17Å; H84-E213 IonicContact CE1-OE1 3.54Å; H84-E213 IonicContact CG-OE1 2.7Å; H84-E213 IonicContact ND1-OE1 3.83Å; H84-E213 PolarHBondContact ND1-OE1 2.91Å; H84-E213 IonicContact ND1-OE2 2.67Å
85	T	98.2	Very high	97.5	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.206	C	C	.	.			trans	-68.2	132.6	179.8	-64.1	0	0	0	0	110	K73 T82 Y87 A225 S257	K73-T85 HydrophobicContact CB-CG2 4.47Å; K73-T85 HydrophobicContact CD-CG2 3.86Å; K73-T85 HydrophobicContact CG-CG2 3.88Å; T82-T85 PolarHBondContact N-OG1 2.82Å; T82-T85 VanDerWaalsContact O-CB 3.22Å; T82-T85 WeakPolarHBondContact O-CB 3.28Å; T82-T85 PolarHBondContact O-N 3.4Å; T82-T85 PolarHBondContact O-OG1 3.07Å; T82-T85 PolarHBondContact OG1-OG1 3.46Å; T85-Y87 HydrophobicContact CG2-CD2 4.38Å; T85-Y87 HydrophobicContact CG2-CE1 4.28Å; T85-Y87 HydrophobicContact CG2-CE2 3.74Å; T85-Y87 VanDerWaalsContact O-CD2 3.32Å; T85-Y87 WeakPolarHBondContact O-CD2 3.41Å; T85-Y87 VanDerWaalsContact O-CE2 3.23Å; T85-Y87 WeakPolarHBondContact O-CE2 3.44Å; T85-A225 HydrophobicContact CG2-CB 3.64Å; T85-S257 WeakPolarHBondContact O-CA 3.29Å
86	Q	98.3	Very high	97.7	Very high	5 Å²	5	38.2 Å²	38.2	2%	0.023	19%	0.188	C	C	.	.	B	Isolated β-bridge	trans	-96.6	135.3	178.3	-52.4	-175.2	0.8	0	0	110.3	H84 E213 S215 N221 Q223 A225 F255 M256	H84-Q86 PolarHBondContact O-N 3.17Å; Q86-E213 VanDerWaalsContact CD-C 3.49Å; Q86-E213 HydrophobicContact CG-CB 4.5Å; Q86-E213 VanDerWaalsContact CG-O 3.32Å; Q86-E213 WeakPolarHBondContact CG-O 3.33Å; Q86-E213 VanDerWaalsContact NE2-CA 3.25Å; Q86-E213 PolarHBondContact NE2-O 2.82Å; Q86-E213 VanDerWaalsContact NE2-O 3.17Å; Q86-S215 PolarHBondContact OE1-OG 2.87Å; Q86-N221 PolarHBondContact NE2-ND2 2.99Å; Q86-N221 PolarHBondContact OE1-ND2 2.98Å; Q86-Q223 HydrophobicContact CG-CB 4.03Å; Q86-Q223 PolarHBondContact N-O 3.02Å; Q86-A225 PolarHBondContact O-N 3.14Å; Q86-F255 HydrophobicContact CB-CB 3.96Å; Q86-M256 WeakPolarHBondContact CA-O 3.36Å
87	Y	98.5	Very high	98	Very high	1 Å²	1	33.7 Å²	33.7	0%	0.004	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	143.8	-179.4	-60.4	-96.5	0	0	0	108.9	G54 T55 N81 T85 I89 A225 F255 M256 F311 L328 N330	G54-Y87 VanDerWaalsContact CA-OH 3.31Å; G54-Y87 WeakPolarHBondContact CA-OH 3.38Å; T55-Y87 PolarHBondContact N-OH 3.39Å; T55-Y87 WeakPolarHBondContact OG1-CE2 3.38Å; T55-Y87 PolarHBondContact OG1-OH 2.8Å; T55-Y87 VanDerWaalsContact OG1-OH 3.14Å; N81-Y87 WeakPolarHBondContact CB-OH 3.37Å; N81-Y87 PolarHBondContact ND2-OH 3.34Å; N81-Y87 PolarHBondContact OD1-OH 3.4Å; T85-Y87 HydrophobicContact CG2-CD2 4.38Å; T85-Y87 HydrophobicContact CG2-CE1 4.28Å; T85-Y87 HydrophobicContact CG2-CE2 3.74Å; T85-Y87 VanDerWaalsContact O-CD2 3.32Å; T85-Y87 WeakPolarHBondContact O-CD2 3.41Å; T85-Y87 VanDerWaalsContact O-CE2 3.23Å; T85-Y87 WeakPolarHBondContact O-CE2 3.44Å; Y87-I89 WeakPolarHBondContact O-CG2 3.29Å; Y87-I89 PolarHBondContact O-N 3.33Å; Y87-I89 VanDerWaalsContact O-N 3.08Å; Y87-A225 HydrophobicContact CD1-CB 4.21Å; Y87-A225 HydrophobicContact CE1-CB 4.16Å; Y87-F255 VanDerWaalsContact C-CD1 3.45Å; Y87-F255 CarbonylContact O-C 3.51Å; Y87-F255 WeakPolarHBondContact O-CA 3.48Å; Y87-M256 PolarHBondContact N-O 3.07Å; Y87-M256 PolarHBondContact O-N 3.03Å; Y87-F311 AromaticContact CD1-CD1 3.97Å; Y87-F311 HydrophobicContact CD1-CD1 3.97Å; Y87-F311 HydrophobicContact CD1-CE1 4.12Å; Y87-F311 HydrophobicContact CG-CD1 4.45Å; Y87-L328 HydrophobicContact CD1-CB 4.31Å; Y87-L328 HydrophobicContact CD2-CB 3.56Å; Y87-L328 HydrophobicContact CD2-CD1 3.82Å; Y87-L328 HydrophobicContact CD2-CG 4.35Å; Y87-L328 HydrophobicContact CE2-CB 4.1Å; Y87-L328 HydrophobicContact CG-CB 3.7Å; Y87-L328 HydrophobicContact CG-CD1 4.45Å; Y87-N330 HydrophobicContact CD1-CB 3.8Å; Y87-N330 HydrophobicContact CE1-CB 3.77Å
88	C	98.2	Very high	98.1	Very high	1 Å²	1	24.8 Å²	24.8	1%	0.007	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.5	114.8	171.1	-177.7	0	0	0	0	108.6	G90 Y245 G252 F255 F311	C88-G90 PolarHBondContact O-N 3.03Å; C88-Y245 HydrophobicContact CB-CE1 3.94Å; C88-G252 PolarHBondContact SG-O 2.93Å; C88-G252 VanDerWaalsContact SG-O 3.34Å; C88-F255 HydrophobicContact CB-CD1 4.17Å; C88-F255 HydrophobicContact CB-CD2 4.22Å; C88-F255 HydrophobicContact CB-CE1 3.79Å; C88-F255 HydrophobicContact CB-CE2 3.83Å; C88-F255 HydrophobicContact CB-CG 4.37Å; C88-F255 HydrophobicContact CB-CZ 3.62Å; C88-F311 HydrophobicContact CB-CB 4.02Å; C88-F311 HydrophobicContact CB-CD1 4.33Å; C88-F311 HydrophobicContact CB-CD2 3.64Å; C88-F311 HydrophobicContact CB-CE2 4.21Å; C88-F311 HydrophobicContact CB-CG 3.72Å; C88-F311 VanDerWaalsContact O-CB 3.24Å; C88-F311 WeakPolarHBondContact O-CB 3.23Å
89	I	98.7	Very high	98.3	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	8%	0.082	C	C	.	.			trans	-82.9	-3	-174.4	62.5	160	0	0	0	113	Y87 S91 V92 Q93 V254 M256 L261 G306 A313 L328	Y87-I89 WeakPolarHBondContact O-CG2 3.29Å; Y87-I89 PolarHBondContact O-N 3.33Å; Y87-I89 VanDerWaalsContact O-N 3.08Å; I89-S91 PolarHBondContact O-N 3.16Å; I89-V92 HydrophobicContact CB-CB 4.13Å; I89-V92 HydrophobicContact CD1-CB 4.11Å; I89-V92 HydrophobicContact CD1-CG1 4.18Å; I89-V92 HydrophobicContact CG1-CB 4.43Å; I89-V92 WeakPolarHBondContact O-CB 3.48Å; I89-V92 WeakPolarHBondContact O-CG2 3.49Å; I89-V92 PolarHBondContact O-N 2.99Å; I89-V92 VanDerWaalsContact O-N 3.15Å; I89-Q93 HydrophobicContact CD1-CB 4.24Å; I89-Q93 HydrophobicContact CG1-CB 4.44Å; I89-V254 HydrophobicContact CG1-CB 4.48Å; I89-V254 WeakPolarHBondContact CG1-O 3.48Å; I89-V254 PolarHBondContact N-O 3.15Å; I89-M256 HydrophobicContact CD1-CG 4.14Å; I89-M256 HydrophobicContact CD1-SD 3.61Å; I89-M256 HydrophobicContact CG2-CB 3.85Å; I89-M256 HydrophobicContact CG2-CG 4.2Å; I89-L261 HydrophobicContact CG2-CD2 4.44Å; I89-G306 WeakPolarHBondContact O-CA 3.29Å; I89-A313 HydrophobicContact CB-CB 4.12Å; I89-A313 HydrophobicContact CG2-CB 4.34Å; I89-L328 HydrophobicContact CG2-CD2 4.46Å
90	G	98.3	Very high	98.3	Very high	1 Å²	1	12.2 Å²	12.2	1%	0.01	7%	0.065	C	C	.	.	G	3₁₀ helix	trans	47.2	-137.3	179.1	0	0	0	0	0	112.1	C88 V92 Q93 G252	C88-G90 PolarHBondContact O-N 3.03Å; G90-V92 PolarHBondContact O-N 3.24Å; G90-Q93 VanDerWaalsContact O-CB 3.29Å; G90-Q93 WeakPolarHBondContact O-CB 3.43Å; G90-Q93 PolarHBondContact O-N 3.35Å; G90-G252 VanDerWaalsContact C-CA 3.41Å; G90-G252 WeakPolarHBondContact O-CA 3.34Å
91	S	98.5	Very high	98.4	Very high	21 Å²	21	7.2 Å²	7.2	15%	0.147	4%	0.042	C	C	.	.	G	3₁₀ helix	trans	-56.6	-9.8	-178.3	-69.1	0	0	0	0	117.5	I89 Q93 K94 Y177 T251 R305	I89-S91 PolarHBondContact O-N 3.16Å; S91-Q93 PolarHBondContact O-N 3.02Å; S91-K94 WeakPolarHBondContact O-CB 3.44Å; S91-K94 PolarHBondContact O-N 3.36Å; S91-K94 PolarHBondContact OG-NZ 2.63Å; S91-Y177 WeakPolarHBondContact CB-OH 3.33Å; S91-Y177 PolarHBondContact OG-OH 3.1Å; S91-T251 WeakPolarHBondContact CA-O 3.47Å; S91-R305 WeakPolarHBondContact CB-O 3.36Å
92	V	98.8	Very high	98.4	Very high	1 Å²	1	7.2 Å²	7.2	1%	0.006	4%	0.042	C	C	.	.	G	3₁₀ helix	trans	-61	-31.4	167.4	-178.9	0	0	0	0	110.6	I89 G90 K94 G95 Q96 L261 F265 A313 V315	I89-V92 HydrophobicContact CB-CB 4.13Å; I89-V92 HydrophobicContact CD1-CB 4.11Å; I89-V92 HydrophobicContact CD1-CG1 4.18Å; I89-V92 HydrophobicContact CG1-CB 4.43Å; I89-V92 WeakPolarHBondContact O-CB 3.48Å; I89-V92 WeakPolarHBondContact O-CG2 3.49Å; I89-V92 PolarHBondContact O-N 2.99Å; I89-V92 VanDerWaalsContact O-N 3.15Å; G90-V92 PolarHBondContact O-N 3.24Å; V92-K94 PolarHBondContact O-N 3.02Å; V92-G95 PolarHBondContact O-N 3.01Å; V92-Q96 PolarHBondContact O-OE1 3.11Å; V92-L261 HydrophobicContact CG1-CD1 3.96Å; V92-L261 HydrophobicContact CG1-CD2 4.36Å; V92-F265 HydrophobicContact CG1-CE2 4.45Å; V92-F265 HydrophobicContact CG1-CZ 4.42Å; V92-A313 HydrophobicContact CG2-CB 3.84Å; V92-V315 HydrophobicContact CG1-CG2 4.45Å
93	Q	98.8	Very high	98.4	Very high	0 Å²	0	6.1 Å²	6.1	0%	0	3%	0.033	C	C	.	.	G	3₁₀ helix	trans	-51.5	-27.9	177.7	179.3	170.8	-14.8	0	0	113.7	I89 G90 S91 G95 Q96 T97 G252 N253 V254	I89-Q93 HydrophobicContact CD1-CB 4.24Å; I89-Q93 HydrophobicContact CG1-CB 4.44Å; G90-Q93 VanDerWaalsContact O-CB 3.29Å; G90-Q93 WeakPolarHBondContact O-CB 3.43Å; G90-Q93 PolarHBondContact O-N 3.35Å; S91-Q93 PolarHBondContact O-N 3.02Å; Q93-G95 PolarHBondContact O-N 3.32Å; Q93-G95 VanDerWaalsContact O-N 3.16Å; Q93-Q96 WeakPolarHBondContact O-CA 3.45Å; Q93-Q96 WeakPolarHBondContact O-CB 3.19Å; Q93-Q96 PolarHBondContact O-N 2.99Å; Q93-Q96 PolarHBondContact O-OE1 3.15Å; Q93-Q96 VanDerWaalsContact O-OE1 3.04Å; Q93-T97 PolarHBondContact O-N 3.49Å; Q93-T97 PolarHBondContact O-OG1 2.67Å; Q93-G252 VanDerWaalsContact OE1-C 3.22Å; Q93-G252 VanDerWaalsContact OE1-N 3.13Å; Q93-N253 PolarHBondContact NE2-OD1 2.9Å; Q93-N253 PolarHBondContact OE1-OD1 3.1Å; Q93-V254 VanDerWaalsContact CD-CG2 3.49Å; Q93-V254 HydrophobicContact CG-CB 4.45Å; Q93-V254 HydrophobicContact CG-CG2 4.24Å
94	K	98.8	Very high	98.5	Very high	1 Å²	1	6 Å²	6	0%	0.004	3%	0.032	C	C	.	.	H	α-helix	trans	-58.2	-29.8	179	-68.1	-176.4	178.5	66.5	0	111.8	S91 V92 T97 A98 M137 Y177 Y182 T251 Y291	S91-K94 WeakPolarHBondContact O-CB 3.44Å; S91-K94 PolarHBondContact O-N 3.36Å; S91-K94 PolarHBondContact OG-NZ 2.63Å; V92-K94 PolarHBondContact O-N 3.02Å; K94-T97 PolarHBondContact O-N 3.37Å; K94-A98 VanDerWaalsContact O-CB 3.28Å; K94-A98 WeakPolarHBondContact O-CB 3.44Å; K94-A98 PolarHBondContact O-N 2.79Å; K94-M137 HydrophobicContact CD-CE 3.65Å; K94-Y177 WeakPolarHBondContact CD-OH 3.34Å; K94-Y177 WeakPolarHBondContact CE-OH 3.3Å; K94-Y177 PolarHBondContact NZ-OH 3.18Å; K94-Y182 HydrophobicContact CB-CD1 3.66Å; K94-Y182 HydrophobicContact CB-CE1 3.47Å; K94-Y182 VanDerWaalsContact CB-CE1 3.47Å; K94-Y182 HydrophobicContact CB-CE2 4.41Å; K94-Y182 HydrophobicContact CB-CG 4.2Å; K94-Y182 HydrophobicContact CD-CD1 4.24Å; K94-Y182 HydrophobicContact CD-CD2 3.82Å; K94-Y182 HydrophobicContact CD-CE1 4.47Å; K94-Y182 HydrophobicContact CD-CE2 4.07Å; K94-Y182 HydrophobicContact CD-CG 3.9Å; K94-Y182 HydrophobicContact CG-CD1 3.65Å; K94-Y182 HydrophobicContact CG-CD2 4.16Å; K94-Y182 HydrophobicContact CG-CE1 3.97Å; K94-Y182 HydrophobicContact CG-CE2 4.45Å; K94-Y182 HydrophobicContact CG-CG 3.75Å; K94-Y182 WeakPolarHBondContact O-CE1 3.48Å; K94-T251 PolarHBondContact NZ-O 3.19Å; K94-Y291 WeakPolarHBondContact CD-OH 3.46Å
95	G	98.6	Very high	98.6	Very high	5 Å²	5	5.5 Å²	5.5	5%	0.052	3%	0.032	C	C	.	.	H	α-helix	trans	-59.9	-46.7	171.7	0	0	0	0	0	111.9	V92 Q93 A98 Y99 Y264	V92-G95 PolarHBondContact O-N 3.01Å; Q93-G95 PolarHBondContact O-N 3.32Å; Q93-G95 VanDerWaalsContact O-N 3.16Å; G95-A98 WeakPolarHBondContact O-CB 3.49Å; G95-A98 PolarHBondContact O-N 3.38Å; G95-Y99 PolarHBondContact O-N 2.99Å; G95-Y264 PolarHBondContact O-OH 3.18Å
96	Q	98.8	Very high	98.5	Very high	0 Å²	0	9.7 Å²	9.7	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-65.5	-42.6	180	-69.4	77.7	4.9	0	0	111.3	V92 Q93 A98 Y99 L100 F201 L205 Y264	V92-Q96 PolarHBondContact O-OE1 3.11Å; Q93-Q96 WeakPolarHBondContact O-CA 3.45Å; Q93-Q96 WeakPolarHBondContact O-CB 3.19Å; Q93-Q96 PolarHBondContact O-N 2.99Å; Q93-Q96 PolarHBondContact O-OE1 3.15Å; Q93-Q96 VanDerWaalsContact O-OE1 3.04Å; Q96-A98 VanDerWaalsContact C-N 3.32Å; Q96-A98 PolarHBondContact O-N 3.2Å; Q96-Y99 WeakPolarHBondContact O-CB 3.48Å; Q96-Y99 PolarHBondContact O-N 3.44Å; Q96-L100 WeakPolarHBondContact O-CG 3.37Å; Q96-L100 PolarHBondContact O-N 3.38Å; Q96-F201 HydrophobicContact CB-CD2 4.48Å; Q96-F201 HydrophobicContact CB-CE2 3.69Å; Q96-F201 HydrophobicContact CB-CZ 4.48Å; Q96-F201 HydrophobicContact CG-CE2 3.99Å; Q96-F201 HydrophobicContact CG-CZ 4.31Å; Q96-L205 HydrophobicContact CB-CD1 3.45Å; Q96-L205 VanDerWaalsContact CB-CD1 3.45Å; Q96-L205 HydrophobicContact CG-CD1 3.64Å; Q96-Y264 HydrophobicContact CG-CD2 4.2Å; Q96-Y264 HydrophobicContact CG-CE1 4.32Å; Q96-Y264 HydrophobicContact CG-CE2 3.79Å; Q96-Y264 PolarHBondContact N-OH 3.28Å
97	T	98.9	Very high	98.4	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-60.7	-43	173.4	-53.8	0	0	0	0	111.3	Q93 K94 Y99 L100 I101 Y182 L185 L189 Y197 G250	Q93-T97 PolarHBondContact O-N 3.49Å; Q93-T97 PolarHBondContact O-OG1 2.67Å; K94-T97 PolarHBondContact O-N 3.37Å; T97-Y99 PolarHBondContact O-N 3.47Å; T97-L100 PolarHBondContact O-N 2.96Å; T97-I101 PolarHBondContact O-N 3.16Å; T97-Y182 HydrophobicContact CG2-CD1 3.86Å; T97-L185 HydrophobicContact CG2-CB 4.32Å; T97-L189 HydrophobicContact CG2-CD1 4.4Å; T97-Y197 HydrophobicContact CG2-CE2 4.18Å; T97-Y197 PolarHBondContact OG1-OH 2.91Å; T97-G250 PolarHBondContact OG1-O 3.26Å
98	A	98.8	Very high	98.4	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-64.6	-38.4	176.8	0	0	0	0	0	112.3	K94 G95 Q96 L100 I101 M102 L135 Y182 L282	K94-A98 VanDerWaalsContact O-CB 3.28Å; K94-A98 WeakPolarHBondContact O-CB 3.44Å; K94-A98 PolarHBondContact O-N 2.79Å; G95-A98 WeakPolarHBondContact O-CB 3.49Å; G95-A98 PolarHBondContact O-N 3.38Å; Q96-A98 VanDerWaalsContact C-N 3.32Å; Q96-A98 PolarHBondContact O-N 3.2Å; A98-L100 PolarHBondContact O-N 3.3Å; A98-I101 WeakPolarHBondContact O-CB 3.35Å; A98-I101 PolarHBondContact O-N 3.39Å; A98-M102 PolarHBondContact O-N 3.3Å; A98-L135 HydrophobicContact CB-CD2 3.63Å; A98-Y182 HydrophobicContact CB-CE1 4.36Å; A98-L282 HydrophobicContact CB-CD1 4.13Å
99	Y	98.8	Very high	98.4	Very high	2 Å²	2	20.2 Å²	20.2	1%	0.008	12%	0.123	C	C	.	.	H	α-helix	trans	-58.3	-46.6	171.5	170.6	-99.1	0	0	0	111.4	G95 Q96 T97 I101 M102 Q103 L204 L205 M209 L268 F273 L274	G95-Y99 PolarHBondContact O-N 2.99Å; Q96-Y99 WeakPolarHBondContact O-CB 3.48Å; Q96-Y99 PolarHBondContact O-N 3.44Å; T97-Y99 PolarHBondContact O-N 3.47Å; Y99-I101 VanDerWaalsContact C-N 3.32Å; Y99-I101 PolarHBondContact O-N 3.47Å; Y99-M102 CarbonylContact O-C 3.52Å; Y99-M102 WeakPolarHBondContact O-CA 3.46Å; Y99-M102 WeakPolarHBondContact O-CB 3.44Å; Y99-M102 PolarHBondContact O-N 3.41Å; Y99-Q103 HydrophobicContact CD1-CG 4.12Å; Y99-Q103 HydrophobicContact CD2-CG 4.48Å; Y99-Q103 HydrophobicContact CE1-CG 3.61Å; Y99-Q103 HydrophobicContact CE2-CG 3.99Å; Y99-Q103 VanDerWaalsContact CZ-CD 3.45Å; Y99-Q103 WeakPolarHBondContact O-CG 3.42Å; Y99-Q103 PolarHBondContact O-N 2.59Å; Y99-Q103 VanDerWaalsContact OH-CD 3.22Å; Y99-Q103 PolarHBondContact OH-NE2 2.96Å; Y99-Q103 PolarHBondContact OH-OE1 2.65Å; Y99-L204 WeakPolarHBondContact CE1-O 3.46Å; Y99-L205 HydrophobicContact CD1-CB 4.15Å; Y99-L205 HydrophobicContact CD1-CD1 3.8Å; Y99-L205 HydrophobicContact CD1-CG 3.9Å; Y99-L205 HydrophobicContact CE1-CB 4.07Å; Y99-L205 HydrophobicContact CE1-CD1 4.49Å; Y99-L205 HydrophobicContact CE1-CG 4.11Å; Y99-M209 HydrophobicContact CD1-CE 4.42Å; Y99-M209 HydrophobicContact CD2-CE 4.21Å; Y99-M209 HydrophobicContact CE1-CE 3.91Å; Y99-M209 HydrophobicContact CE2-CE 3.71Å; Y99-L268 HydrophobicContact CD2-CD2 3.67Å; Y99-L268 HydrophobicContact CE2-CD2 4.28Å; Y99-L268 HydrophobicContact CG-CD2 4.32Å; Y99-F273 HydrophobicContact CE2-CB 4.28Å; Y99-L274 HydrophobicContact CD2-CD1 4.19Å; Y99-L274 HydrophobicContact CD2-CD2 4.07Å; Y99-L274 HydrophobicContact CD2-CG 4.07Å; Y99-L274 HydrophobicContact CE2-CD2 4.02Å; Y99-L274 HydrophobicContact CE2-CG 4.06Å
100	L	98.8	Very high	98.4	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-61.6	-38.3	177.6	-65.6	175.4	0	0	0	112.6	Q96 T97 A98 M102 Q103 A104 L189 Y197 F201 L204 L205	Q96-L100 WeakPolarHBondContact O-CG 3.37Å; Q96-L100 PolarHBondContact O-N 3.38Å; T97-L100 PolarHBondContact O-N 2.96Å; A98-L100 PolarHBondContact O-N 3.3Å; L100-M102 VanDerWaalsContact C-N 3.33Å; L100-Q103 WeakPolarHBondContact O-CB 3.45Å; L100-Q103 PolarHBondContact O-N 3.46Å; L100-A104 PolarHBondContact O-N 3.11Å; L100-L189 HydrophobicContact CB-CD1 3.59Å; L100-L189 HydrophobicContact CB-CD2 4.08Å; L100-L189 HydrophobicContact CD1-CD1 4.24Å; L100-Y197 HydrophobicContact CD1-CE2 3.82Å; L100-F201 HydrophobicContact CD1-CB 4.3Å; L100-F201 HydrophobicContact CD1-CD2 4.33Å; L100-L204 HydrophobicContact CD2-CB 3.65Å; L100-L204 HydrophobicContact CD2-CD1 4.37Å; L100-L205 HydrophobicContact CD2-CB 4.07Å
101	I	98.8	Very high	98.4	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-60.1	-45.6	171.4	-69.2	-70.4	0	0	0	110.4	T97 A98 Y99 Q103 A104 V105 I110 L112 I131 L135 L185 L189	T97-I101 PolarHBondContact O-N 3.16Å; A98-I101 WeakPolarHBondContact O-CB 3.35Å; A98-I101 PolarHBondContact O-N 3.39Å; Y99-I101 VanDerWaalsContact C-N 3.32Å; Y99-I101 PolarHBondContact O-N 3.47Å; I101-Q103 VanDerWaalsContact C-N 3.29Å; I101-Q103 PolarHBondContact O-N 2.72Å; I101-A104 WeakPolarHBondContact O-CB 3.3Å; I101-A104 PolarHBondContact O-N 2.68Å; I101-A104 VanDerWaalsContact O-N 3.09Å; I101-V105 WeakPolarHBondContact O-CG2 3.08Å; I101-V105 PolarHBondContact O-N 2.57Å; I101-I110 HydrophobicContact CD1-CD1 4.2Å; I101-I110 HydrophobicContact CG2-CD1 4.17Å; I101-L112 HydrophobicContact CG2-CD2 4.44Å; I101-I131 HydrophobicContact CG2-CG2 3.72Å; I101-L135 HydrophobicContact CB-CD2 4.48Å; I101-L135 HydrophobicContact CG2-CD1 4Å; I101-L135 HydrophobicContact CG2-CD2 4.45Å; I101-L185 HydrophobicContact CD1-CB 4.11Å; I101-L185 HydrophobicContact CD1-CD2 3.75Å; I101-L185 HydrophobicContact CD1-CG 4.46Å; I101-L185 HydrophobicContact CG1-CB 4.26Å; I101-L185 HydrophobicContact CG1-CD2 4.06Å; I101-L189 HydrophobicContact CD1-CD1 4.14Å; I101-L189 HydrophobicContact CD1-CD2 3.88Å; I101-L189 HydrophobicContact CD1-CG 3.7Å; I101-L189 HydrophobicContact CG1-CD1 4.23Å; I101-L189 HydrophobicContact CG1-CD2 4.39Å; I101-L189 HydrophobicContact CG1-CG 4.3Å
102	M	98.4	Very high	98.4	Very high	11 Å²	11	23.5 Å²	23.5	5%	0.054	14%	0.143	C	C	.	.	H	α-helix	trans	-64.1	-34.5	178.1	-161.1	60.5	-146.5	0	0	112.6	A98 Y99 L100 A104 V105 K106 L274 E278 L282	A98-M102 PolarHBondContact O-N 3.3Å; Y99-M102 CarbonylContact O-C 3.52Å; Y99-M102 WeakPolarHBondContact O-CA 3.46Å; Y99-M102 WeakPolarHBondContact O-CB 3.44Å; Y99-M102 PolarHBondContact O-N 3.41Å; L100-M102 VanDerWaalsContact C-N 3.33Å; M102-A104 VanDerWaalsContact C-N 3.35Å; M102-V105 HydrophobicContact CE-CB 4.25Å; M102-V105 HydrophobicContact CE-CG1 3.9Å; M102-V105 PolarHBondContact O-N 3.01Å; M102-V105 HydrophobicContact SD-CB 4.32Å; M102-V105 HydrophobicContact SD-CG1 4.44Å; M102-K106 VanDerWaalsContact O-CB 3.3Å; M102-K106 WeakPolarHBondContact O-CB 3.31Å; M102-K106 PolarHBondContact O-N 3.38Å; M102-L274 HydrophobicContact CB-CD2 4.2Å; M102-L274 HydrophobicContact CG-CD2 3.76Å; M102-E278 HydrophobicContact CE-CB 3.89Å; M102-E278 HydrophobicContact CE-CG 3.8Å; M102-E278 HydrophobicContact CG-CB 4.49Å; M102-L282 HydrophobicContact CB-CD1 4.05Å; M102-L282 HydrophobicContact CB-CD2 4.22Å; M102-L282 HydrophobicContact CG-CD1 4.46Å; M102-L282 HydrophobicContact SD-CD1 4.45Å
103	Q	98.3	Very high	98.4	Very high	35 Å²	35	28.6 Å²	28.6	16%	0.164	17%	0.167	C	C	.	.	H	α-helix	trans	-63.7	-40.3	172.2	-66.1	-59.4	102.3	0	0	111.8	Y99 L100 I101 K106 S107	Y99-Q103 HydrophobicContact CD1-CG 4.12Å; Y99-Q103 HydrophobicContact CD2-CG 4.48Å; Y99-Q103 HydrophobicContact CE1-CG 3.61Å; Y99-Q103 HydrophobicContact CE2-CG 3.99Å; Y99-Q103 VanDerWaalsContact CZ-CD 3.45Å; Y99-Q103 WeakPolarHBondContact O-CG 3.42Å; Y99-Q103 PolarHBondContact O-N 2.59Å; Y99-Q103 VanDerWaalsContact OH-CD 3.22Å; Y99-Q103 PolarHBondContact OH-NE2 2.96Å; Y99-Q103 PolarHBondContact OH-OE1 2.65Å; L100-Q103 WeakPolarHBondContact O-CB 3.45Å; L100-Q103 PolarHBondContact O-N 3.46Å; I101-Q103 VanDerWaalsContact C-N 3.29Å; I101-Q103 PolarHBondContact O-N 2.72Å; Q103-K106 PolarHBondContact O-N 2.85Å; Q103-S107 WeakPolarHBondContact O-CB 3.18Å; Q103-S107 PolarHBondContact O-N 3.14Å; Q103-S107 PolarHBondContact O-OG 3.23Å
104	A	98.6	Very high	98.4	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-63.4	-43.8	174.3	0	0	0	0	0	111.5	L100 I101 M102 S107 G108 K109 I110 L189 Y193	L100-A104 PolarHBondContact O-N 3.11Å; I101-A104 WeakPolarHBondContact O-CB 3.3Å; I101-A104 PolarHBondContact O-N 2.68Å; I101-A104 VanDerWaalsContact O-N 3.09Å; M102-A104 VanDerWaalsContact C-N 3.35Å; A104-S107 WeakPolarHBondContact CA-OG 3.39Å; A104-S107 PolarHBondContact O-N 3.27Å; A104-S107 PolarHBondContact O-OG 3.09Å; A104-G108 PolarHBondContact O-N 2.99Å; A104-K109 HydrophobicContact CB-CB 4.37Å; A104-K109 WeakPolarHBondContact O-CB 3.47Å; A104-K109 PolarHBondContact O-N 2.86Å; A104-I110 HydrophobicContact CB-CD1 3.75Å; A104-I110 HydrophobicContact CB-CG1 3.68Å; A104-L189 HydrophobicContact CB-CD2 4.21Å; A104-Y193 WeakPolarHBondContact CA-OH 3.48Å; A104-Y193 HydrophobicContact CB-CE2 3.83Å
105	V	98.3	Very high	98.3	Very high	32 Å²	32	34.6 Å²	34.6	19%	0.194	19%	0.194	C	C	.	.	H	α-helix	trans	-58.9	-49.5	174.1	173.6	0	0	0	0	111.2	I101 M102 S107 G108 I110 L112	I101-V105 WeakPolarHBondContact O-CG2 3.08Å; I101-V105 PolarHBondContact O-N 2.57Å; M102-V105 HydrophobicContact CE-CB 4.25Å; M102-V105 HydrophobicContact CE-CG1 3.9Å; M102-V105 PolarHBondContact O-N 3.01Å; M102-V105 HydrophobicContact SD-CB 4.32Å; M102-V105 HydrophobicContact SD-CG1 4.44Å; V105-S107 PolarHBondContact O-N 3.02Å; V105-G108 PolarHBondContact O-N 2.78Å; V105-I110 WeakPolarHBondContact CA-O 3.38Å; V105-I110 HydrophobicContact CG2-CD1 4.23Å; V105-I110 HydrophobicContact CG2-CG1 3.91Å; V105-L112 HydrophobicContact CG2-CD2 3.93Å; V105-L112 HydrophobicContact CG2-CG 4.13Å
106	K	96.4	Very high	98.3	Very high	88 Å²	88	34.4 Å²	34.4	38%	0.383	19%	0.191	S	C	.	.	H	α-helix	trans	-58.7	-35.3	178.1	-177.4	173.7	-171	148.1	0	112.9	M102 Q103 G108 F273 E278	M102-K106 VanDerWaalsContact O-CB 3.3Å; M102-K106 WeakPolarHBondContact O-CB 3.31Å; M102-K106 PolarHBondContact O-N 3.38Å; Q103-K106 PolarHBondContact O-N 2.85Å; K106-G108 PolarHBondContact O-N 3.06Å; K106-F273 PolarHBondContact NZ-O 3Å; K106-E278 VanDerWaalsContact CD-OE1 3.27Å; K106-E278 WeakPolarHBondContact CD-OE1 3.43Å; K106-E278 WeakPolarHBondContact CE-OE1 3.44Å; K106-E278 WeakPolarHBondContact CG-OE1 3.44Å; K106-E278 IonicContact NZ-OE1 3.36Å; K106-E278 PolarHBondContact NZ-OE1 2.88Å; K106-E278 IonicContact NZ-OE2 2.89Å; K106-E278 PolarHBondContact NZ-OE2 2.74Å
107	S	96.8	Very high	98.3	Very high	65 Å²	65	36.1 Å²	36.1	46%	0.455	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.4	1.1	176.4	70.9	0	0	0	0	114.4	Q103 A104 V105 K109	Q103-S107 WeakPolarHBondContact O-CB 3.18Å; Q103-S107 PolarHBondContact O-N 3.14Å; Q103-S107 PolarHBondContact O-OG 3.23Å; A104-S107 WeakPolarHBondContact CA-OG 3.39Å; A104-S107 PolarHBondContact O-N 3.27Å; A104-S107 PolarHBondContact O-OG 3.09Å; V105-S107 PolarHBondContact O-N 3.02Å; S107-K109 VanDerWaalsContact C-N 3.27Å; S107-K109 PolarHBondContact O-N 3.07Å; S107-K109 WeakPolarHBondContact OG-CD 3.21Å; S107-K109 WeakPolarHBondContact OG-CG 3.4Å
108	G	97.8	Very high	98.3	Very high	68 Å²	68	39.9 Å²	39.9	70%	0.701	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	71.2	17.4	-178.2	0	0	0	0	0	114.3	A104 V105 K106	A104-G108 PolarHBondContact O-N 2.99Å; V105-G108 PolarHBondContact O-N 2.78Å; K106-G108 PolarHBondContact O-N 3.06Å
109	K	98.4	Very high	98.3	Very high	94 Å²	94	41 Å²	41	41%	0.409	23%	0.231	S	C	.	.	S	Bend	trans	-78.7	-30.5	179.9	-76.3	179.4	166.7	-67.5	0	113.5	A104 S107 V192 Y193	A104-K109 HydrophobicContact CB-CB 4.37Å; A104-K109 WeakPolarHBondContact O-CB 3.47Å; A104-K109 PolarHBondContact O-N 2.86Å; S107-K109 VanDerWaalsContact C-N 3.27Å; S107-K109 PolarHBondContact O-N 3.07Å; S107-K109 WeakPolarHBondContact OG-CD 3.21Å; S107-K109 WeakPolarHBondContact OG-CG 3.4Å; K109-V192 PolarHBondContact NZ-O 3.27Å; K109-Y193 HydrophobicContact CD-CD1 4.01Å; K109-Y193 HydrophobicContact CD-CD2 4.4Å; K109-Y193 HydrophobicContact CD-CE1 3.63Å; K109-Y193 HydrophobicContact CD-CE2 4.05Å; K109-Y193 HydrophobicContact CD-CG 4.37Å; K109-Y193 VanDerWaalsContact CE-CE1 3.44Å
110	I	98.5	Very high	98.3	Very high	11 Å²	11	41 Å²	41	6%	0.056	23%	0.231	C	C	.	.			trans	-149	170.5	179.8	54.3	169.9	0	0	0	109.6	I101 A104 V105 E114 F119 I131 V192	I101-I110 HydrophobicContact CD1-CD1 4.2Å; I101-I110 HydrophobicContact CG2-CD1 4.17Å; A104-I110 HydrophobicContact CB-CD1 3.75Å; A104-I110 HydrophobicContact CB-CG1 3.68Å; V105-I110 WeakPolarHBondContact CA-O 3.38Å; V105-I110 HydrophobicContact CG2-CD1 4.23Å; V105-I110 HydrophobicContact CG2-CG1 3.91Å; I110-E114 VanDerWaalsContact CA-OE2 3.25Å; I110-E114 WeakPolarHBondContact CA-OE2 3.44Å; I110-F119 HydrophobicContact CG2-CE1 4.28Å; I110-F119 HydrophobicContact CG2-CZ 3.66Å; I110-I131 HydrophobicContact CB-CD1 4.16Å; I110-I131 HydrophobicContact CD1-CD1 3.67Å; I110-I131 HydrophobicContact CG1-CD1 4.43Å; I110-V192 HydrophobicContact CG2-CB 4.42Å; I110-V192 HydrophobicContact CG2-CG1 3.61Å
111	S	98.4	Very high	98.3	Very high	54 Å²	54	45.3 Å²	45.3	38%	0.378	26%	0.259	S	S	.	.			trans	-123.4	156.5	166.9	77.1	0	0	0	0	112.1	E113 E114	S111-E113 PolarHBondContact O-N 3.41Å; S111-E114 PolarHBondContact N-OE2 3.06Å; S111-E114 WeakPolarHBondContact O-CB 3.49Å; S111-E114 PolarHBondContact O-N 3.05Å; S111-E114 VanDerWaalsContact O-N 3.12Å; S111-E114 PolarHBondContact OG-N 3.46Å; S111-E114 VanDerWaalsContact OG-N 3.14Å
112	L	98.3	Very high	98.2	Very high	26 Å²	26	51 Å²	51	14%	0.136	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-26.1	176	-66.6	179.8	0	0	0	112.8	I101 V105 I131 K132 L135	I101-L112 HydrophobicContact CG2-CD2 4.44Å; V105-L112 HydrophobicContact CG2-CD2 3.93Å; V105-L112 HydrophobicContact CG2-CG 4.13Å; L112-I131 HydrophobicContact CD2-CG2 4.32Å; L112-I131 PolarHBondContact O-N 3.24Å; L112-K132 HydrophobicContact CB-CB 4.34Å; L112-K132 WeakPolarHBondContact O-CB 3.28Å; L112-K132 PolarHBondContact O-N 3.27Å; L112-L135 HydrophobicContact CD2-CD1 3.68Å
113	E	98.2	Very high	98.2	Very high	109 Å²	109	50.9 Å²	50.9	51%	0.509	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.4	-7.3	179.6	-59.7	-56	144.4	0	0	113	S111	S111-E113 PolarHBondContact O-N 3.41Å
114	E	98.5	Very high	98.1	Very high	53 Å²	53	53.3 Å²	53.3	25%	0.248	31%	0.306	C	S	.	.			trans	-61	139.1	179.5	-168.8	149.5	-159.4	0	0	110.8	I110 S111 F119 S130 I131	I110-E114 VanDerWaalsContact CA-OE2 3.25Å; I110-E114 WeakPolarHBondContact CA-OE2 3.44Å; S111-E114 PolarHBondContact N-OE2 3.06Å; S111-E114 WeakPolarHBondContact O-CB 3.49Å; S111-E114 PolarHBondContact O-N 3.05Å; S111-E114 VanDerWaalsContact O-N 3.12Å; S111-E114 PolarHBondContact OG-N 3.46Å; S111-E114 VanDerWaalsContact OG-N 3.14Å; E114-F119 HydrophobicContact CG-CE2 4.06Å; E114-F119 HydrophobicContact CG-CZ 4.37Å; E114-S130 CarbonylContact O-C 3.58Å; E114-S130 VanDerWaalsContact O-CA 3.3Å; E114-S130 WeakPolarHBondContact O-CA 3.34Å; E114-I131 HydrophobicContact CB-CD1 4.25Å; E114-I131 PolarHBondContact O-N 3.47Å
115	K	98.7	Very high	98	Very high	74 Å²	74	56.4 Å²	56.4	32%	0.322	32%	0.323	S	S	.	.	B	Isolated β-bridge	trans	-84.3	146.7	-171.7	-59.2	-52.9	-175.7	-168.1	0	111.5	S117 T118 E127 I129	K115-S117 PolarHBondContact O-N 2.93Å; K115-T118 WeakPolarHBondContact O-CB 3.38Å; K115-T118 PolarHBondContact O-N 3.41Å; K115-T118 PolarHBondContact O-OG1 2.92Å; K115-E127 WeakPolarHBondContact CD-O 3.43Å; K115-E127 WeakPolarHBondContact CG-O 3.43Å; K115-I129 CarbonylContact C-O 3.54Å; K115-I129 VanDerWaalsContact CA-O 3.29Å; K115-I129 WeakPolarHBondContact CA-O 2.94Å
116	L	98.7	Very high	97.9	Very high	0 Å²	0	55 Å²	55	0%	0	32%	0.315	C	S	.	.	G	3₁₀ helix	trans	-57.6	-31.1	175.7	-173.2	63.8	0	0	0	111.3	T118 F119 Y120 I123 S126 I129 M134 L141 I188	L116-T118 PolarHBondContact O-N 3.29Å; L116-F119 PolarHBondContact O-N 3.49Å; L116-Y120 HydrophobicContact CD1-CD2 3.54Å; L116-Y120 HydrophobicContact CD1-CE2 4.14Å; L116-Y120 HydrophobicContact CG-CD2 4.24Å; L116-Y120 PolarHBondContact O-N 3Å; L116-I123 HydrophobicContact CD2-CD1 4.24Å; L116-I123 HydrophobicContact CD2-CG2 4.29Å; L116-S126 WeakPolarHBondContact CB-O 3.35Å; L116-S126 PolarHBondContact N-O 3.18Å; L116-I129 HydrophobicContact CB-CB 4.04Å; L116-I129 HydrophobicContact CB-CG2 4.17Å; L116-I129 HydrophobicContact CD2-CB 4.34Å; L116-I129 HydrophobicContact CD2-CD1 4.16Å; L116-I129 HydrophobicContact CD2-CG2 4.19Å; L116-I129 PolarHBondContact N-O 2.83Å; L116-M134 HydrophobicContact CD1-CE 3.91Å; L116-M134 HydrophobicContact CD1-SD 3.65Å; L116-L141 HydrophobicContact CD2-CD1 4.14Å; L116-L141 HydrophobicContact CD2-CD2 4.14Å; L116-I188 HydrophobicContact CD1-CD1 4.16Å
117	S	98.6	Very high	98	Very high	36 Å²	36	55.3 Å²	55.3	25%	0.252	32%	0.317	S	S	.	.	G	3₁₀ helix	trans	-61.3	-20.3	177.4	58.4	0	0	0	0	114.3	K115 F119 P121 S126 E127	K115-S117 PolarHBondContact O-N 2.93Å; S117-F119 PolarHBondContact O-N 3.41Å; S117-P121 WeakPolarHBondContact O-CB 3.43Å; S117-P121 WeakPolarHBondContact O-CD 3.29Å; S117-S126 WeakPolarHBondContact CA-OG 3.31Å; S117-S126 WeakPolarHBondContact CB-OG 3.19Å; S117-S126 PolarHBondContact N-O 2.66Å; S117-S126 VanDerWaalsContact N-O 3.14Å; S117-E127 WeakPolarHBondContact OG-CA 3.43Å
118	T	98.7	Very high	98	Very high	80 Å²	80	58.6 Å²	58.6	49%	0.491	32%	0.324	S	S	.	.	G	3₁₀ helix	trans	-64	-32.8	172.1	-59	0	0	0	0	111.5	K115 L116	K115-T118 WeakPolarHBondContact O-CB 3.38Å; K115-T118 PolarHBondContact O-N 3.41Å; K115-T118 PolarHBondContact O-OG1 2.92Å; L116-T118 PolarHBondContact O-N 3.29Å
119	F	98.7	Very high	98	Very high	22 Å²	22	55.8 Å²	55.8	10%	0.096	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109	-34.2	-172.5	-52.3	-77.2	0	0	0	113	I110 E114 L116 S117 I131 I188 V192	I110-F119 HydrophobicContact CG2-CE1 4.28Å; I110-F119 HydrophobicContact CG2-CZ 3.66Å; E114-F119 HydrophobicContact CG-CE2 4.06Å; E114-F119 HydrophobicContact CG-CZ 4.37Å; L116-F119 PolarHBondContact O-N 3.49Å; S117-F119 PolarHBondContact O-N 3.41Å; F119-I131 HydrophobicContact CE2-CD1 4.1Å; F119-I188 HydrophobicContact CB-CD1 4.41Å; F119-I188 HydrophobicContact CB-CG1 3.86Å; F119-I188 HydrophobicContact CD1-CG1 4.18Å; F119-I188 HydrophobicContact CD1-CG2 4.08Å; F119-I188 HydrophobicContact CD2-CD1 3.74Å; F119-I188 HydrophobicContact CD2-CG1 3.8Å; F119-I188 HydrophobicContact CD2-CG2 4.21Å; F119-I188 HydrophobicContact CE1-CG2 3.91Å; F119-I188 HydrophobicContact CE2-CD1 4.29Å; F119-I188 HydrophobicContact CE2-CG1 4.43Å; F119-I188 HydrophobicContact CE2-CG2 4.04Å; F119-I188 HydrophobicContact CG-CB 4.47Å; F119-I188 HydrophobicContact CG-CD1 4.13Å; F119-I188 HydrophobicContact CG-CG1 3.66Å; F119-I188 HydrophobicContact CG-CG2 4.24Å; F119-I188 HydrophobicContact CZ-CG2 3.9Å; F119-V192 HydrophobicContact CD1-CG1 4.45Å; F119-V192 HydrophobicContact CE1-CG1 3.58Å; F119-V192 HydrophobicContact CZ-CG1 4.24Å
120	Y	98.6	Very high	98	Very high	3 Å²	3	51.3 Å²	51.3	1%	0.012	27%	0.273	C	S	.	.			trans	-138.2	65	-177.6	-48.7	-67.4	0	0	0	111.5	L116 Q122 I123 S126 I164 L184 G187 I188	L116-Y120 HydrophobicContact CD1-CD2 3.54Å; L116-Y120 HydrophobicContact CD1-CE2 4.14Å; L116-Y120 HydrophobicContact CG-CD2 4.24Å; L116-Y120 PolarHBondContact O-N 3Å; Y120-Q122 VanDerWaalsContact CA-OE1 3.28Å; Y120-Q122 PolarHBondContact O-N 3.37Å; Y120-I123 HydrophobicContact CD2-CD1 4.39Å; Y120-I123 HydrophobicContact CG-CD1 4.18Å; Y120-I123 PolarHBondContact O-N 2.98Å; Y120-S126 PolarHBondContact O-OG 3.4Å; Y120-I164 HydrophobicContact CD1-CD1 3.67Å; Y120-I164 HydrophobicContact CD1-CG1 3.95Å; Y120-I164 HydrophobicContact CD1-CG2 4.49Å; Y120-I164 HydrophobicContact CE1-CD1 3.4Å; Y120-I164 VanDerWaalsContact CE1-CD1 3.4Å; Y120-I164 HydrophobicContact CE1-CG1 3.94Å; Y120-L184 HydrophobicContact CD2-CD2 4.18Å; Y120-L184 HydrophobicContact CE2-CB 3.95Å; Y120-L184 HydrophobicContact CE2-CD2 3.89Å; Y120-L184 HydrophobicContact CE2-CG 4.41Å; Y120-L184 PolarHBondContact OH-O 3.14Å; Y120-L184 VanDerWaalsContact OH-O 3.09Å; Y120-G187 WeakPolarHBondContact OH-CA 3.37Å; Y120-I188 HydrophobicContact CE2-CD1 4.14Å; Y120-I188 HydrophobicContact CE2-CG1 3.7Å; Y120-I188 PolarHBondContact OH-N 2.98Å
121	P	98.3	Very high	98	Very high	91 Å²	91	50.8 Å²	50.8	59%	0.591	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-18.3	-179.7	26.1	-35.2	0	0	0	113.8	S117 I123	S117-P121 WeakPolarHBondContact O-CB 3.43Å; S117-P121 WeakPolarHBondContact O-CD 3.29Å; P121-I123 VanDerWaalsContact C-N 3.28Å; P121-I123 PolarHBondContact O-N 3.35Å
122	Q	97.8	Very high	98	Very high	120 Å²	120	49.9 Å²	49.9	56%	0.561	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.4	-15.7	175.2	68.6	-86.7	30.9	0	0	114.1	Y120 I164	Y120-Q122 VanDerWaalsContact CA-OE1 3.28Å; Y120-Q122 PolarHBondContact O-N 3.37Å; Q122-I164 HydrophobicContact CG-CG2 3.96Å; Q122-I164 VanDerWaalsContact NE2-CG2 3.3Å
123	I	98	Very high	98	Very high	7 Å²	7	49.8 Å²	49.8	4%	0.036	26%	0.259	C	S	.	.	S	Bend	trans	-80.3	125.2	175.5	-63.6	176.4	0	0	0	108.4	L116 Y120 P121 S126 L141 I164 T167 V169 L184	L116-I123 HydrophobicContact CD2-CD1 4.24Å; L116-I123 HydrophobicContact CD2-CG2 4.29Å; Y120-I123 HydrophobicContact CD2-CD1 4.39Å; Y120-I123 HydrophobicContact CG-CD1 4.18Å; Y120-I123 PolarHBondContact O-N 2.98Å; P121-I123 VanDerWaalsContact C-N 3.28Å; P121-I123 PolarHBondContact O-N 3.35Å; I123-S126 WeakPolarHBondContact O-CB 3.42Å; I123-S126 PolarHBondContact O-N 2.8Å; I123-S126 VanDerWaalsContact O-N 3.14Å; I123-S126 PolarHBondContact O-OG 3.32Å; I123-L141 HydrophobicContact CG2-CD2 4.13Å; I123-I164 HydrophobicContact CG1-CG2 4.44Å; I123-T167 HydrophobicContact CD1-CG2 4.17Å; I123-T167 HydrophobicContact CG2-CG2 4.02Å; I123-V169 HydrophobicContact CG2-CG2 4.05Å; I123-L184 HydrophobicContact CD1-CD1 3.73Å; I123-L184 HydrophobicContact CD1-CD2 4.29Å
124	S	95.8	Very high	98	Very high	86 Å²	86	44.6 Å²	44.6	60%	0.601	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54	138.7	178.1	-58.8	0	0	0	0	112	S126 V169	S124-S126 PolarHBondContact O-N 3.15Å; S124-S126 VanDerWaalsContact O-N 3.16Å; S124-V169 WeakPolarHBondContact O-CG2 3.09Å
125	N	95.9	Very high	98	Very high	66 Å²	66	42.3 Å²	42.3	35%	0.353	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.6	16.3	-178.2	-62.7	-50.1	0	0	0	115.1	E127 K128 V169	N125-E127 WeakPolarHBondContact CA-OE2 3.35Å; N125-E127 PolarHBondContact O-N 2.83Å; N125-E127 VanDerWaalsContact O-N 3.15Å; N125-K128 HydrophobicContact CB-CD 4.37Å; N125-K128 PolarHBondContact O-N 3.46Å; N125-K128 PolarHBondContact OD1-NZ 3.38Å; N125-V169 HydrophobicContact CB-CG1 4.39Å
126	S	97.5	Very high	98	Very high	3 Å²	3	39 Å²	39	2%	0.021	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-21.7	-179.6	56.2	0	0	0	0	113.6	L116 S117 Y120 I123 S124 K128 I129	L116-S126 WeakPolarHBondContact CB-O 3.35Å; L116-S126 PolarHBondContact N-O 3.18Å; S117-S126 WeakPolarHBondContact CA-OG 3.31Å; S117-S126 WeakPolarHBondContact CB-OG 3.19Å; S117-S126 PolarHBondContact N-O 2.66Å; S117-S126 VanDerWaalsContact N-O 3.14Å; Y120-S126 PolarHBondContact O-OG 3.4Å; I123-S126 WeakPolarHBondContact O-CB 3.42Å; I123-S126 PolarHBondContact O-N 2.8Å; I123-S126 VanDerWaalsContact O-N 3.14Å; I123-S126 PolarHBondContact O-OG 3.32Å; S124-S126 PolarHBondContact O-N 3.15Å; S124-S126 VanDerWaalsContact O-N 3.16Å; S126-K128 PolarHBondContact O-N 2.86Å; S126-I129 PolarHBondContact O-N 3.5Å
127	E	97.5	Very high	97.9	Very high	93 Å²	93	39 Å²	39	44%	0.435	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-17.6	174.8	75.9	-67	162	0	0	113.8	K115 S117 N125	K115-E127 WeakPolarHBondContact CD-O 3.43Å; K115-E127 WeakPolarHBondContact CG-O 3.43Å; S117-E127 WeakPolarHBondContact OG-CA 3.43Å; N125-E127 WeakPolarHBondContact CA-OE2 3.35Å; N125-E127 PolarHBondContact O-N 2.83Å; N125-E127 VanDerWaalsContact O-N 3.15Å
128	K	96.9	Very high	97.9	Very high	135 Å²	135	37.4 Å²	37.4	59%	0.587	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.2	-19.4	179	-63.2	170.5	-170.3	154.9	0	112.8	N125 S126	N125-K128 HydrophobicContact CB-CD 4.37Å; N125-K128 PolarHBondContact O-N 3.46Å; N125-K128 PolarHBondContact OD1-NZ 3.38Å; S126-K128 PolarHBondContact O-N 2.86Å
129	I	97.9	Very high	97.8	Very high	8 Å²	8	33.9 Å²	33.9	4%	0.041	18%	0.177	C	C	.	.			trans	-93.7	123.3	-173.5	-59.9	170.9	0	0	0	108.9	K115 L116 S126 D133 M134 S139 L141 V169	K115-I129 CarbonylContact C-O 3.54Å; K115-I129 VanDerWaalsContact CA-O 3.29Å; K115-I129 WeakPolarHBondContact CA-O 2.94Å; L116-I129 HydrophobicContact CB-CB 4.04Å; L116-I129 HydrophobicContact CB-CG2 4.17Å; L116-I129 HydrophobicContact CD2-CB 4.34Å; L116-I129 HydrophobicContact CD2-CD1 4.16Å; L116-I129 HydrophobicContact CD2-CG2 4.19Å; L116-I129 PolarHBondContact N-O 2.83Å; S126-I129 PolarHBondContact O-N 3.5Å; I129-D133 HydrophobicContact CG2-CB 4.31Å; I129-M134 HydrophobicContact CG2-CG 4Å; I129-S139 WeakPolarHBondContact CD1-O 3.42Å; I129-L141 HydrophobicContact CD1-CD2 3.53Å; I129-L141 HydrophobicContact CD1-CG 4.08Å; I129-V169 HydrophobicContact CD1-CG1 4.16Å; I129-V169 HydrophobicContact CD1-CG2 4.34Å
130	S	98.3	Very high	97.8	Very high	1 Å²	1	32.9 Å²	32.9	1%	0.007	17%	0.174	C	C	.	.	B	Isolated β-bridge	trans	-93.8	164.3	172.3	66.9	0	0	0	0	112.7	E114 K132 D133 M134	E114-S130 CarbonylContact O-C 3.58Å; E114-S130 VanDerWaalsContact O-CA 3.3Å; E114-S130 WeakPolarHBondContact O-CA 3.34Å; S130-K132 PolarHBondContact O-N 3.16Å; S130-K132 PolarHBondContact OG-N 2.97Å; S130-D133 WeakPolarHBondContact CB-OD2 3.49Å; S130-D133 PolarHBondContact N-OD2 3.36Å; S130-D133 WeakPolarHBondContact O-CB 3.48Å; S130-D133 PolarHBondContact O-N 2.86Å; S130-D133 VanDerWaalsContact O-N 3.15Å; S130-D133 PolarHBondContact OG-N 3.16Å; S130-D133 VanDerWaalsContact OG-N 3.11Å; S130-D133 PolarHBondContact OG-OD1 3.48Å; S130-D133 PolarHBondContact OG-OD2 3.34Å; S130-M134 PolarHBondContact O-N 3.22Å
131	I	98.7	Very high	97.8	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-56.9	-39.2	169.1	-68	-175	0	0	0	111	I101 I110 L112 E114 F119 D133 M134 L135 L185 I188	I101-I131 HydrophobicContact CG2-CG2 3.72Å; I110-I131 HydrophobicContact CB-CD1 4.16Å; I110-I131 HydrophobicContact CD1-CD1 3.67Å; I110-I131 HydrophobicContact CG1-CD1 4.43Å; L112-I131 HydrophobicContact CD2-CG2 4.32Å; L112-I131 PolarHBondContact O-N 3.24Å; E114-I131 HydrophobicContact CB-CD1 4.25Å; E114-I131 PolarHBondContact O-N 3.47Å; F119-I131 HydrophobicContact CE2-CD1 4.1Å; I131-D133 VanDerWaalsContact C-N 3.33Å; I131-D133 PolarHBondContact O-N 2.94Å; I131-M134 WeakPolarHBondContact O-CB 3.28Å; I131-M134 PolarHBondContact O-N 2.93Å; I131-L135 HydrophobicContact CG2-CD1 4.12Å; I131-L135 HydrophobicContact CG2-CG 4.45Å; I131-L135 WeakPolarHBondContact O-CG 3.22Å; I131-L135 PolarHBondContact O-N 3.25Å; I131-L185 HydrophobicContact CG2-CD2 3.94Å; I131-I188 HydrophobicContact CD1-CG2 4.47Å
132	K	98.3	Very high	97.7	Very high	34 Å²	34	31.4 Å²	31.4	15%	0.148	16%	0.156	C	C	.	.	H	α-helix	trans	-60.2	-41.1	175.4	-171.2	175.7	-175.9	171.9	0	112.3	L112 S130 M134 L135 N136 Q284 Y286	L112-K132 HydrophobicContact CB-CB 4.34Å; L112-K132 WeakPolarHBondContact O-CB 3.28Å; L112-K132 PolarHBondContact O-N 3.27Å; S130-K132 PolarHBondContact O-N 3.16Å; S130-K132 PolarHBondContact OG-N 2.97Å; K132-M134 VanDerWaalsContact C-N 3.27Å; K132-M134 PolarHBondContact O-N 2.9Å; K132-L135 PolarHBondContact O-N 2.56Å; K132-N136 WeakPolarHBondContact O-CB 3.18Å; K132-N136 PolarHBondContact O-N 2.92Å; K132-Q284 VanDerWaalsContact NZ-OE1 3.14Å; K132-Y286 HydrophobicContact CD-CE1 4.29Å
133	D	97.9	Very high	97.7	Very high	25 Å²	25	26.8 Å²	26.8	13%	0.134	14%	0.135	C	C	.	.	H	α-helix	trans	-62.3	-37.9	177.3	-59	-40.1	0	0	0	111.5	I129 S130 I131 N136 M137 S138 S139 Y286	I129-D133 HydrophobicContact CG2-CB 4.31Å; S130-D133 WeakPolarHBondContact CB-OD2 3.49Å; S130-D133 PolarHBondContact N-OD2 3.36Å; S130-D133 WeakPolarHBondContact O-CB 3.48Å; S130-D133 PolarHBondContact O-N 2.86Å; S130-D133 VanDerWaalsContact O-N 3.15Å; S130-D133 PolarHBondContact OG-N 3.16Å; S130-D133 VanDerWaalsContact OG-N 3.11Å; S130-D133 PolarHBondContact OG-OD1 3.48Å; S130-D133 PolarHBondContact OG-OD2 3.34Å; I131-D133 VanDerWaalsContact C-N 3.33Å; I131-D133 PolarHBondContact O-N 2.94Å; D133-N136 PolarHBondContact O-N 2.91Å; D133-M137 PolarHBondContact O-N 3.23Å; D133-M137 VanDerWaalsContact O-N 3.13Å; D133-S138 PolarHBondContact O-N 3Å; D133-S139 PolarHBondContact O-N 3.13Å; D133-Y286 VanDerWaalsContact OD1-CE2 3.31Å; D133-Y286 WeakPolarHBondContact OD1-CE2 3.24Å; D133-Y286 VanDerWaalsContact OD1-CZ 3.31Å; D133-Y286 PolarHBondContact OD1-OH 2.98Å
134	M	98.6	Very high	97.6	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-69.2	-44.8	176.9	-61.1	165.1	72.9	0	0	112	L116 I129 S130 I131 K132 N136 M137 L141 N181 L184 L185 I188	L116-M134 HydrophobicContact CD1-CE 3.91Å; L116-M134 HydrophobicContact CD1-SD 3.65Å; I129-M134 HydrophobicContact CG2-CG 4Å; S130-M134 PolarHBondContact O-N 3.22Å; I131-M134 WeakPolarHBondContact O-CB 3.28Å; I131-M134 PolarHBondContact O-N 2.93Å; K132-M134 VanDerWaalsContact C-N 3.27Å; K132-M134 PolarHBondContact O-N 2.9Å; M134-N136 PolarHBondContact O-N 2.93Å; M134-M137 PolarHBondContact O-N 3.28Å; M134-M137 VanDerWaalsContact O-N 3.14Å; M134-L141 HydrophobicContact CG-CD1 4.41Å; M134-N181 WeakPolarHBondContact CA-OD1 3.2Å; M134-N181 HydrophobicContact CB-CB 4.19Å; M134-N181 WeakPolarHBondContact CE-O 3.38Å; M134-N181 WeakPolarHBondContact O-CB 3.3Å; M134-L184 HydrophobicContact CE-CB 3.5Å; M134-L184 VanDerWaalsContact CE-CB 3.5Å; M134-L184 HydrophobicContact CE-CD1 4.46Å; M134-L185 HydrophobicContact CB-CD1 4.13Å; M134-L185 HydrophobicContact CB-CD2 4.15Å; M134-L185 HydrophobicContact CB-CG 4.14Å; M134-L185 HydrophobicContact CE-CD2 3.86Å; M134-L185 HydrophobicContact CE-CG 3.72Å; M134-L185 HydrophobicContact SD-CD2 4.06Å; M134-L185 HydrophobicContact SD-CG 4.47Å; M134-I188 HydrophobicContact CE-CD1 4.18Å; M134-I188 HydrophobicContact SD-CD1 4.33Å
135	L	98.7	Very high	97.6	Very high	5 Å²	5	30.6 Å²	30.6	3%	0.026	15%	0.146	C	C	.	.	H	α-helix	trans	-58.6	-36.1	176.5	-73.7	170.4	0	0	0	112.1	A98 I101 L112 I131 K132 Y182 L185 L282 Y291 S293	A98-L135 HydrophobicContact CB-CD2 3.63Å; I101-L135 HydrophobicContact CB-CD2 4.48Å; I101-L135 HydrophobicContact CG2-CD1 4Å; I101-L135 HydrophobicContact CG2-CD2 4.45Å; L112-L135 HydrophobicContact CD2-CD1 3.68Å; I131-L135 HydrophobicContact CG2-CD1 4.12Å; I131-L135 HydrophobicContact CG2-CG 4.45Å; I131-L135 WeakPolarHBondContact O-CG 3.22Å; I131-L135 PolarHBondContact O-N 3.25Å; K132-L135 PolarHBondContact O-N 2.56Å; L135-Y182 HydrophobicContact CD2-CE1 4.49Å; L135-Y182 PolarHBondContact O-OH 3.46Å; L135-L185 HydrophobicContact CD2-CD1 3.7Å; L135-L185 HydrophobicContact CG-CD1 4.1Å; L135-L282 HydrophobicContact CD1-CD1 4.37Å; L135-Y291 WeakPolarHBondContact O-CE1 3.25Å; L135-S293 PolarHBondContact O-N 3.21Å
136	N	98.3	Very high	97.6	Very high	3 Å²	3	35.6 Å²	35.6	2%	0.016	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.6	-2.3	179.3	-74.9	-22	0	0	0	114.7	K132 D133 M134 S138 Q284 Y286 Y291 A292	K132-N136 WeakPolarHBondContact O-CB 3.18Å; K132-N136 PolarHBondContact O-N 2.92Å; D133-N136 PolarHBondContact O-N 2.91Å; M134-N136 PolarHBondContact O-N 2.93Å; N136-S138 VanDerWaalsContact C-N 3.25Å; N136-S138 PolarHBondContact O-N 2.92Å; N136-S138 PolarHBondContact O-OG 3.18Å; N136-Q284 PolarHBondContact ND2-O 2.87Å; N136-Q284 PolarHBondContact OD1-O 2.7Å; N136-Y286 HydrophobicContact CB-CD2 4.01Å; N136-Y286 HydrophobicContact CB-CE2 4.1Å; N136-Y291 PolarHBondContact OD1-O 3.37Å; N136-A292 WeakPolarHBondContact OD1-CA 3.49Å; N136-A292 WeakPolarHBondContact OD1-CB 3.48Å
137	M	97.9	Very high	97.5	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.5	29.7	-174.3	-58.5	-74.8	-166.3	0	0	113.8	K94 D133 M134 Y175 S176 Y177 N181 Y182 Y291	K94-M137 HydrophobicContact CD-CE 3.65Å; D133-M137 PolarHBondContact O-N 3.23Å; D133-M137 VanDerWaalsContact O-N 3.13Å; M134-M137 PolarHBondContact O-N 3.28Å; M134-M137 VanDerWaalsContact O-N 3.14Å; M137-Y175 HydrophobicContact CB-CD2 4.03Å; M137-Y175 HydrophobicContact CB-CE2 4.02Å; M137-S176 PolarHBondContact O-N 3Å; M137-Y177 HydrophobicContact CE-CD2 4.14Å; M137-Y177 HydrophobicContact CE-CE1 4.34Å; M137-Y177 HydrophobicContact CE-CE2 3.88Å; M137-N181 HydrophobicContact SD-CB 3.9Å; M137-N181 PolarHBondContact SD-ND2 2.91Å; M137-Y182 HydrophobicContact CE-CD2 3.43Å; M137-Y182 VanDerWaalsContact CE-CD2 3.43Å; M137-Y182 HydrophobicContact CE-CE2 3.43Å; M137-Y182 VanDerWaalsContact CE-CE2 3.43Å; M137-Y182 HydrophobicContact SD-CD2 4.17Å; M137-Y182 HydrophobicContact SD-CE2 4.09Å; M137-Y291 HydrophobicContact CB-CD1 4.15Å; M137-Y291 HydrophobicContact CB-CE1 4.43Å; M137-Y291 HydrophobicContact CE-CE1 4.13Å; M137-Y291 HydrophobicContact CG-CD1 3.58Å; M137-Y291 HydrophobicContact CG-CE1 3.39Å; M137-Y291 HydrophobicContact CG-CG 4.45Å
138	S	97.5	Very high	97.5	Very high	4 Å²	4	36.1 Å²	36.1	3%	0.028	17%	0.165	C	C	.	.			trans	-117.2	15.2	-175.1	-53.7	0	0	0	0	112.7	D133 N136 G140 S173 E289	D133-S138 PolarHBondContact O-N 3Å; N136-S138 VanDerWaalsContact C-N 3.25Å; N136-S138 PolarHBondContact O-N 2.92Å; N136-S138 PolarHBondContact O-OG 3.18Å; S138-G140 VanDerWaalsContact C-N 3.29Å; S138-G140 PolarHBondContact O-N 3.12Å; S138-S173 WeakPolarHBondContact O-CB 3.37Å; S138-E289 PolarHBondContact OG-OE1 3.14Å; S138-E289 VanDerWaalsContact OG-OE1 3.09Å; S138-E289 PolarHBondContact OG-OE2 3.38Å
139	S	97.6	Very high	97.5	Very high	5 Å²	5	31.9 Å²	31.9	4%	0.035	16%	0.156	C	C	.	.	S	Bend	trans	-71.3	-16.5	178.8	64.4	0	0	0	0	115.1	I129 D133 L141 N181	I129-S139 WeakPolarHBondContact CD1-O 3.42Å; D133-S139 PolarHBondContact O-N 3.13Å; S139-L141 PolarHBondContact O-N 3.31Å; S139-L141 WeakPolarHBondContact OG-CB 3.39Å; S139-L141 VanDerWaalsContact OG-CG 3.27Å; S139-L141 WeakPolarHBondContact OG-CG 3.27Å; S139-L141 PolarHBondContact OG-N 3.5Å; S139-L141 VanDerWaalsContact OG-N 3.12Å; S139-N181 WeakPolarHBondContact CB-OD1 3.45Å; S139-N181 PolarHBondContact OG-OD1 2.89Å
140	G	97.5	Very high	97.4	Very high	2 Å²	2	35.4 Å²	35.4	2%	0.021	19%	0.186	C	C	.	.			trans	72.8	-1.6	-169.3	0	0	0	0	0	114.5	S138 A170	S138-G140 VanDerWaalsContact C-N 3.29Å; S138-G140 PolarHBondContact O-N 3.12Å; G140-A170 WeakPolarHBondContact O-CB 3.33Å; G140-A170 PolarHBondContact O-N 3.3Å
141	L	98.1	Very high	97.3	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.3	145	176.6	-62.8	179.2	0	0	0	111.1	L116 I123 I129 M134 S139 T167 T168 V169 Q178 V180 L184	L116-L141 HydrophobicContact CD2-CD1 4.14Å; L116-L141 HydrophobicContact CD2-CD2 4.14Å; I123-L141 HydrophobicContact CG2-CD2 4.13Å; I129-L141 HydrophobicContact CD1-CD2 3.53Å; I129-L141 HydrophobicContact CD1-CG 4.08Å; M134-L141 HydrophobicContact CG-CD1 4.41Å; S139-L141 PolarHBondContact O-N 3.31Å; S139-L141 WeakPolarHBondContact OG-CB 3.39Å; S139-L141 VanDerWaalsContact OG-CG 3.27Å; S139-L141 WeakPolarHBondContact OG-CG 3.27Å; S139-L141 PolarHBondContact OG-N 3.5Å; S139-L141 VanDerWaalsContact OG-N 3.12Å; L141-T167 HydrophobicContact CB-CG2 4.44Å; L141-T167 HydrophobicContact CD2-CG2 3.72Å; L141-T168 CarbonylContact C-O 3.6Å; L141-T168 WeakPolarHBondContact CA-O 3.5Å; L141-V169 HydrophobicContact CD2-CG2 3.74Å; L141-Q178 VanDerWaalsContact O-CG 3.27Å; L141-Q178 WeakPolarHBondContact O-CG 3.49Å; L141-V180 HydrophobicContact CB-CG1 3.88Å; L141-L184 HydrophobicContact CD1-CD1 3.72Å
142	R	97.4	Very high	97.2	Very high	62 Å²	62	44 Å²	44	23%	0.234	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	145.6	-179.8	-65.9	-67.4	-179.6	-93.9	-0.2	110.6	T168 A170 S176	R142-T168 WeakPolarHBondContact CB-OG1 3.4Å; R142-T168 PolarHBondContact N-O 3.17Å; R142-T168 PolarHBondContact O-N 2.66Å; R142-A170 HydrophobicContact CG-CB 4.38Å; R142-S176 VanDerWaalsContact NH1-CB 3.27Å; R142-S176 PolarHBondContact NH1-OG 3.25Å; R142-S176 PolarHBondContact NH2-OG 3.44Å; R142-S176 VanDerWaalsContact NH2-OG 3.11Å
143	I	97.1	Very high	97.2	Very high	23 Å²	23	43.7 Å²	43.7	12%	0.118	23%	0.233	C	C	.	.			trans	-141.5	146.4	177.1	-164.4	66.4	0	0	0	110.9	E145 I148 T163 Q166 P179 V180	I143-E145 HydrophobicContact CG2-CG 4.01Å; I143-I148 HydrophobicContact CD1-CD1 4.27Å; I143-I148 HydrophobicContact CD1-CG1 4.42Å; I143-I148 HydrophobicContact CG1-CD1 4.45Å; I143-I148 HydrophobicContact CG1-CG1 4.05Å; I143-T163 HydrophobicContact CD1-CG2 4.38Å; I143-Q166 HydrophobicContact CD1-CB 3.49Å; I143-Q166 VanDerWaalsContact CD1-CB 3.49Å; I143-P179 HydrophobicContact CG2-CG 4.26Å; I143-V180 HydrophobicContact CB-CB 3.75Å; I143-V180 HydrophobicContact CB-CG1 3.93Å; I143-V180 HydrophobicContact CB-CG2 4.39Å; I143-V180 HydrophobicContact CG1-CB 4.38Å; I143-V180 HydrophobicContact CG2-CB 3.78Å; I143-V180 HydrophobicContact CG2-CG1 3.88Å
144	D	96.6	Very high	97.2	Very high	70 Å²	70	46 Å²	46	37%	0.374	25%	0.248	S	C	.	.			trans	-91.8	95.6	165.5	-176.3	-4.7	0	0	0	108.8	K146 K147	D144-K146 PolarHBondContact O-N 2.81Å; D144-K146 VanDerWaalsContact O-N 3.12Å; D144-K146 WeakPolarHBondContact OD1-CB 3.05Å; D144-K146 PolarHBondContact OD1-N 3.45Å; D144-K146 VanDerWaalsContact OD1-N 3.13Å; D144-K147 HydrophobicContact CB-CD 4.12Å; D144-K147 HydrophobicContact CB-CG 4.09Å; D144-K147 WeakPolarHBondContact O-CB 3.32Å; D144-K147 PolarHBondContact O-N 3.26Å; D144-K147 WeakPolarHBondContact OD2-CE 3.22Å
145	E	95.3	Very high	97.1	Very high	104 Å²	104	48.6 Å²	48.6	49%	0.486	26%	0.262	S	S	.	.	H	α-helix	trans	-57.3	-26.6	-178.5	-64.7	178.2	76.3	0	0	112.5	I143 K147 I148 A149 P179	I143-E145 HydrophobicContact CG2-CG 4.01Å; E145-K147 VanDerWaalsContact C-N 3.29Å; E145-K147 PolarHBondContact O-N 3.27Å; E145-I148 PolarHBondContact O-N 2.86Å; E145-A149 WeakPolarHBondContact O-CB 3.19Å; E145-A149 PolarHBondContact O-N 2.8Å; E145-P179 VanDerWaalsContact CD-CG 3.5Å; E145-P179 HydrophobicContact CG-CG 3.89Å; E145-P179 WeakPolarHBondContact OE1-CG 3.36Å
146	K	96.1	Very high	97.1	Very high	170 Å²	170	50.7 Å²	50.7	74%	0.739	28%	0.276	S	S	*	.	H	α-helix	trans	-65.6	-34.1	177.4	-63	-179.8	179.8	176.5	0	111.9	D144 I148 A150	D144-K146 PolarHBondContact O-N 2.81Å; D144-K146 VanDerWaalsContact O-N 3.12Å; D144-K146 WeakPolarHBondContact OD1-CB 3.05Å; D144-K146 PolarHBondContact OD1-N 3.45Å; D144-K146 VanDerWaalsContact OD1-N 3.13Å; K146-I148 VanDerWaalsContact C-N 3.35Å; K146-A150 VanDerWaalsContact O-CB 3.23Å; K146-A150 WeakPolarHBondContact O-CB 3.2Å; K146-A150 PolarHBondContact O-N 3.03Å
147	K	96.2	Very high	97.1	Very high	94 Å²	94	55 Å²	55	41%	0.409	30%	0.295	S	S	.	.	H	α-helix	trans	-69.9	-35.8	177	-64.6	-175.5	-169.1	177.6	0	111.6	D144 E145 Q166	D144-K147 HydrophobicContact CB-CD 4.12Å; D144-K147 HydrophobicContact CB-CG 4.09Å; D144-K147 WeakPolarHBondContact O-CB 3.32Å; D144-K147 PolarHBondContact O-N 3.26Å; D144-K147 WeakPolarHBondContact OD2-CE 3.22Å; E145-K147 VanDerWaalsContact C-N 3.29Å; E145-K147 PolarHBondContact O-N 3.27Å; K147-Q166 VanDerWaalsContact CD-CD 3.42Å; K147-Q166 HydrophobicContact CD-CG 4.38Å
148	I	97.5	Very high	97.1	Very high	13 Å²	13	60.4 Å²	60.4	7%	0.067	32%	0.319	C	S	.	.	H	α-helix	trans	-68.6	-48.5	175.3	-52.4	-52.1	0	0	0	110	I143 E145 K146 A150 L151 I159 E162 D247	I143-I148 HydrophobicContact CD1-CD1 4.27Å; I143-I148 HydrophobicContact CD1-CG1 4.42Å; I143-I148 HydrophobicContact CG1-CD1 4.45Å; I143-I148 HydrophobicContact CG1-CG1 4.05Å; E145-I148 PolarHBondContact O-N 2.86Å; K146-I148 VanDerWaalsContact C-N 3.35Å; I148-A150 PolarHBondContact O-N 3.22Å; I148-L151 VanDerWaalsContact O-CB 3.25Å; I148-L151 WeakPolarHBondContact O-CB 3.37Å; I148-L151 VanDerWaalsContact O-CG 3.31Å; I148-L151 WeakPolarHBondContact O-CG 3.46Å; I148-L151 PolarHBondContact O-N 3.1Å; I148-L151 VanDerWaalsContact O-N 3.08Å; I148-I159 HydrophobicContact CG2-CG2 4.09Å; I148-E162 HydrophobicContact CD1-CB 4.27Å; I148-E162 HydrophobicContact CD1-CG 3.76Å; I148-D247 HydrophobicContact CG2-CB 4.22Å
149	A	95.3	Very high	97.1	Very high	47 Å²	47	60.3 Å²	60.3	39%	0.388	32%	0.318	S	S	.	.	H	α-helix	trans	-59.4	-35.7	176.6	0	0	0	0	0	112.6	E145 L151 N152	E145-A149 WeakPolarHBondContact O-CB 3.19Å; E145-A149 PolarHBondContact O-N 2.8Å; A149-L151 PolarHBondContact O-N 3.2Å; A149-N152 PolarHBondContact O-N 3.38Å; A149-N152 VanDerWaalsContact O-N 3.07Å
150	A	96.7	Very high	97.1	Very high	82 Å²	82	60.7 Å²	60.7	68%	0.678	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-17	178.2	0	0	0	0	0	114.1	K146 I148 N152	K146-A150 VanDerWaalsContact O-CB 3.23Å; K146-A150 WeakPolarHBondContact O-CB 3.2Å; K146-A150 PolarHBondContact O-N 3.03Å; I148-A150 PolarHBondContact O-N 3.22Å; A150-N152 PolarHBondContact O-N 3.28Å
151	L	96.6	Very high	97.2	Very high	63 Å²	63	63.9 Å²	63.9	33%	0.33	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-28.5	171.3	-64.4	175.8	0	0	0	112.1	I148 A149 T153 E162	I148-L151 VanDerWaalsContact O-CB 3.25Å; I148-L151 WeakPolarHBondContact O-CB 3.37Å; I148-L151 VanDerWaalsContact O-CG 3.31Å; I148-L151 WeakPolarHBondContact O-CG 3.46Å; I148-L151 PolarHBondContact O-N 3.1Å; I148-L151 VanDerWaalsContact O-N 3.08Å; A149-L151 PolarHBondContact O-N 3.2Å; L151-T153 HydrophobicContact CB-CG2 3.88Å; L151-T153 HydrophobicContact CD1-CG2 4.37Å; L151-T153 PolarHBondContact O-N 2.86Å; L151-E162 HydrophobicContact CD1-CB 3.68Å; L151-E162 HydrophobicContact CD1-CG 3.89Å; L151-E162 HydrophobicContact CD2-CB 4.32Å; L151-E162 HydrophobicContact CD2-CG 4.02Å; L151-E162 HydrophobicContact CG-CB 4.48Å; L151-E162 HydrophobicContact CG-CG 4.23Å
152	N	96.9	Very high	97.2	Very high	117 Å²	117	65.4 Å²	65.4	63%	0.626	35%	0.349	S	S	*	.			trans	44.9	49.5	-178.9	-171.4	36.1	0	0	0	112.4	A149 A150 S243	A149-N152 PolarHBondContact O-N 3.38Å; A149-N152 VanDerWaalsContact O-N 3.07Å; A150-N152 PolarHBondContact O-N 3.28Å; N152-S243 VanDerWaalsContact OD1-CB 3.31Å; N152-S243 WeakPolarHBondContact OD1-CB 3.42Å; N152-S243 PolarHBondContact OD1-OG 2.81Å
153	T	97.7	Very high	97.2	Very high	29 Å²	29	62.6 Å²	62.6	18%	0.178	34%	0.339	C	S	.	.			trans	-125.1	156.3	-174.8	-165.9	0	0	0	0	110.9	L151 D155 K158 I159 A246	L151-T153 HydrophobicContact CB-CG2 3.88Å; L151-T153 HydrophobicContact CD1-CG2 4.37Å; L151-T153 PolarHBondContact O-N 2.86Å; T153-D155 PolarHBondContact OG1-N 2.82Å; T153-K158 HydrophobicContact CG2-CB 4.02Å; T153-I159 HydrophobicContact CG2-CD1 4.3Å; T153-I159 HydrophobicContact CG2-CG1 3.88Å; T153-A246 WeakPolarHBondContact O-CB 3.36Å
154	T	97.4	Very high	97.3	Very high	74 Å²	74	62.8 Å²	62.8	45%	0.454	34%	0.34	S	S	.	.			trans	-107.4	6.8	171.4	61.6	0	0	0	0	112.3	P156 V242 A246	T154-P156 WeakPolarHBondContact O-CD 3.46Å; T154-V242 HydrophobicContact CG2-CB 4.31Å; T154-V242 HydrophobicContact CG2-CG1 3.67Å; T154-A246 HydrophobicContact CG2-CB 4.23Å
155	D	97.6	Very high	97.3	Very high	54 Å²	54	67.3 Å²	67.3	29%	0.289	35%	0.351	S	S	.	.			trans	-84.6	110.1	-179.8	-178.9	-16.7	0	0	0	109.9	T153 Q157 K158 I159	T153-D155 PolarHBondContact OG1-N 2.82Å; D155-Q157 PolarHBondContact O-N 2.95Å; D155-Q157 WeakPolarHBondContact OD1-CB 3.2Å; D155-Q157 PolarHBondContact OD1-N 3.31Å; D155-K158 HydrophobicContact CB-CB 4.07Å; D155-K158 HydrophobicContact CB-CD 3.96Å; D155-K158 HydrophobicContact CB-CG 4.05Å; D155-K158 PolarHBondContact O-N 2.92Å; D155-K158 PolarHBondContact OD1-N 2.6Å; D155-K158 WeakPolarHBondContact OD2-CE 3.4Å; D155-K158 WeakPolarHBondContact OD2-CG 3.41Å; D155-I159 WeakPolarHBondContact O-CG1 3.46Å; D155-I159 PolarHBondContact O-N 3.43Å; D155-I159 VanDerWaalsContact O-N 3.13Å
156	P	97.2	Very high	97.4	Very high	49 Å²	49	63.7 Å²	63.7	32%	0.318	33%	0.334	S	S	.	.	H	α-helix	trans	-62.8	-28.2	-177.5	26	-34.1	0	0	0	112.7	T154 I159 L160 L249	T154-P156 WeakPolarHBondContact O-CD 3.46Å; P156-I159 PolarHBondContact O-N 3.09Å; P156-L160 WeakPolarHBondContact O-CB 3.2Å; P156-L160 PolarHBondContact O-N 2.96Å; P156-L249 HydrophobicContact CB-CD1 4.13Å; P156-L249 HydrophobicContact CB-CD2 4.15Å
157	Q	98.1	Very high	97.5	Very high	92 Å²	92	56.3 Å²	56.3	43%	0.43	30%	0.304	S	S	.	.	H	α-helix	trans	-75.2	-34.7	179.7	-62.5	-56.5	-44.7	0	0	111.7	D155 S161 E190	D155-Q157 PolarHBondContact O-N 2.95Å; D155-Q157 WeakPolarHBondContact OD1-CB 3.2Å; D155-Q157 PolarHBondContact OD1-N 3.31Å; Q157-S161 VanDerWaalsContact O-CB 3.27Å; Q157-S161 WeakPolarHBondContact O-CB 3.41Å; Q157-S161 PolarHBondContact O-N 2.95Å; Q157-S161 PolarHBondContact O-OG 2.53Å; Q157-E190 PolarHBondContact NE2-OE2 3.17Å
158	K	98.2	Very high	97.6	Very high	115 Å²	115	56 Å²	56	50%	0.5	31%	0.31	S	S	.	.	H	α-helix	trans	-65.2	-41.1	170.1	-72.8	-179.7	-171.4	174.2	0	111.8	T153 D155 S161 E162	T153-K158 HydrophobicContact CG2-CB 4.02Å; D155-K158 HydrophobicContact CB-CB 4.07Å; D155-K158 HydrophobicContact CB-CD 3.96Å; D155-K158 HydrophobicContact CB-CG 4.05Å; D155-K158 PolarHBondContact O-N 2.92Å; D155-K158 PolarHBondContact OD1-N 2.6Å; D155-K158 WeakPolarHBondContact OD2-CE 3.4Å; D155-K158 WeakPolarHBondContact OD2-CG 3.41Å; K158-S161 WeakPolarHBondContact CA-OG 3.48Å; K158-S161 PolarHBondContact O-OG 3.15Å; K158-S161 VanDerWaalsContact O-OG 3.09Å; K158-E162 WeakPolarHBondContact O-CB 3.37Å; K158-E162 PolarHBondContact O-N 2.6Å
159	I	98.3	Very high	97.6	Very high	2 Å²	2	57.1 Å²	57.1	1%	0.01	32%	0.317	C	S	.	.	H	α-helix	trans	-62.8	-48.9	176.3	-68.6	158.5	0	0	0	110.5	I148 T153 D155 P156 T163 A246 L249	I148-I159 HydrophobicContact CG2-CG2 4.09Å; T153-I159 HydrophobicContact CG2-CD1 4.3Å; T153-I159 HydrophobicContact CG2-CG1 3.88Å; D155-I159 WeakPolarHBondContact O-CG1 3.46Å; D155-I159 PolarHBondContact O-N 3.43Å; D155-I159 VanDerWaalsContact O-N 3.13Å; P156-I159 PolarHBondContact O-N 3.09Å; I159-T163 VanDerWaalsContact O-CB 3.28Å; I159-T163 WeakPolarHBondContact O-CB 3.46Å; I159-T163 PolarHBondContact O-N 2.81Å; I159-T163 PolarHBondContact O-OG1 2.75Å; I159-A246 HydrophobicContact CD1-CB 4Å; I159-A246 VanDerWaalsContact CD1-O 3.3Å; I159-A246 WeakPolarHBondContact CD1-O 3.29Å; I159-L249 HydrophobicContact CG2-CB 4.29Å
160	L	98.4	Very high	97.6	Very high	12 Å²	12	56.1 Å²	56.1	6%	0.063	31%	0.309	C	S	.	.	H	α-helix	trans	-62.3	-49	179.4	178.8	59.2	0	0	0	111.9	P156 E162 T163 I164 V183 L184 L249	P156-L160 WeakPolarHBondContact O-CB 3.2Å; P156-L160 PolarHBondContact O-N 2.96Å; L160-E162 PolarHBondContact O-N 3.29Å; L160-T163 WeakPolarHBondContact O-CB 3.4Å; L160-T163 PolarHBondContact O-N 2.85Å; L160-I164 HydrophobicContact CD1-CD1 4.02Å; L160-I164 HydrophobicContact CD1-CG1 4.28Å; L160-I164 HydrophobicContact CG-CD1 3.93Å; L160-I164 WeakPolarHBondContact O-CD1 3.26Å; L160-I164 VanDerWaalsContact O-CG1 3.28Å; L160-I164 WeakPolarHBondContact O-CG1 3.42Å; L160-I164 PolarHBondContact O-N 2.93Å; L160-V183 HydrophobicContact CD1-CG1 4.19Å; L160-L184 HydrophobicContact CD1-CD2 4.37Å; L160-L249 HydrophobicContact CB-CD2 4.16Å
161	S	98.1	Very high	97.1	Very high	70 Å²	70	57.8 Å²	57.8	49%	0.49	32%	0.323	S	S	.	.	H	α-helix	trans	-62.1	-43.1	-179.5	56.8	0	0	0	0	112.8	Q157 K158 I164 R165	Q157-S161 VanDerWaalsContact O-CB 3.27Å; Q157-S161 WeakPolarHBondContact O-CB 3.41Å; Q157-S161 PolarHBondContact O-N 2.95Å; Q157-S161 PolarHBondContact O-OG 2.53Å; K158-S161 WeakPolarHBondContact CA-OG 3.48Å; K158-S161 PolarHBondContact O-OG 3.15Å; K158-S161 VanDerWaalsContact O-OG 3.09Å; S161-I164 PolarHBondContact O-N 3.25Å; S161-R165 WeakPolarHBondContact O-CB 3.22Å; S161-R165 PolarHBondContact O-N 3.13Å
162	E	98.1	Very high	96.3	Very high	31 Å²	31	59.8 Å²	59.8	15%	0.145	33%	0.334	C	S	.	.	H	α-helix	trans	-68.5	-36.9	174.9	-176.8	65	-172.8	0	0	111.8	I148 L151 K158 L160 I164 R165 Q166	I148-E162 HydrophobicContact CD1-CB 4.27Å; I148-E162 HydrophobicContact CD1-CG 3.76Å; L151-E162 HydrophobicContact CD1-CB 3.68Å; L151-E162 HydrophobicContact CD1-CG 3.89Å; L151-E162 HydrophobicContact CD2-CB 4.32Å; L151-E162 HydrophobicContact CD2-CG 4.02Å; L151-E162 HydrophobicContact CG-CB 4.48Å; L151-E162 HydrophobicContact CG-CG 4.23Å; K158-E162 WeakPolarHBondContact O-CB 3.37Å; K158-E162 PolarHBondContact O-N 2.6Å; L160-E162 PolarHBondContact O-N 3.29Å; E162-I164 PolarHBondContact O-N 2.88Å; E162-R165 PolarHBondContact O-N 3.22Å; E162-R165 IonicContact OE1-CZ 3.92Å; E162-R165 IonicContact OE1-NE 3.4Å; E162-R165 IonicContact OE1-NH2 2.68Å; E162-R165 PolarHBondContact OE1-NH2 3.04Å; E162-R165 IonicContact OE2-CZ 3.34Å; E162-R165 IonicContact OE2-NE 2.77Å; E162-R165 PolarHBondContact OE2-NE 3.09Å; E162-R165 IonicContact OE2-NH2 2.83Å; E162-R165 PolarHBondContact OE2-NH2 2.94Å; E162-Q166 HydrophobicContact CG-CG 4.04Å; E162-Q166 WeakPolarHBondContact O-CB 3.29Å; E162-Q166 VanDerWaalsContact O-CG 3.31Å; E162-Q166 WeakPolarHBondContact O-CG 3.37Å; E162-Q166 PolarHBondContact O-N 3.09Å; E162-Q166 WeakPolarHBondContact OE1-CG 3.35Å; E162-Q166 PolarHBondContact OE1-NE2 3.39Å
163	T	98.3	Very high	95.4	Very high	3 Å²	3	58.9 Å²	58.9	2%	0.018	34%	0.337	C	S	.	.	H	α-helix	trans	-58.3	-49.7	174.5	-63.2	0	0	0	0	110.4	I143 I159 L160 R165 Q166 T167 V180 V183 L184	I143-T163 HydrophobicContact CD1-CG2 4.38Å; I159-T163 VanDerWaalsContact O-CB 3.28Å; I159-T163 WeakPolarHBondContact O-CB 3.46Å; I159-T163 PolarHBondContact O-N 2.81Å; I159-T163 PolarHBondContact O-OG1 2.75Å; L160-T163 WeakPolarHBondContact O-CB 3.4Å; L160-T163 PolarHBondContact O-N 2.85Å; T163-R165 VanDerWaalsContact C-N 3.29Å; T163-R165 PolarHBondContact O-N 2.9Å; T163-Q166 PolarHBondContact O-N 2.77Å; T163-T167 WeakPolarHBondContact O-CB 3.33Å; T163-T167 PolarHBondContact O-N 2.93Å; T163-T167 PolarHBondContact O-OG1 3.37Å; T163-V180 HydrophobicContact CG2-CB 4.3Å; T163-V180 HydrophobicContact CG2-CG2 3.71Å; T163-V183 HydrophobicContact CG2-CB 4.07Å; T163-V183 HydrophobicContact CG2-CG1 3.81Å; T163-L184 HydrophobicContact CG2-CD2 4.42Å
164	I	98.2	Very high	95	Very high	28 Å²	28	60 Å²	60	14%	0.144	35%	0.346	C	S	.	.	H	α-helix	trans	-56.6	-45.7	176.6	-67.5	160.2	0	0	0	110.4	Y120 Q122 I123 L160 S161 E162 Q166 T167 L184	Y120-I164 HydrophobicContact CD1-CD1 3.67Å; Y120-I164 HydrophobicContact CD1-CG1 3.95Å; Y120-I164 HydrophobicContact CD1-CG2 4.49Å; Y120-I164 HydrophobicContact CE1-CD1 3.4Å; Y120-I164 VanDerWaalsContact CE1-CD1 3.4Å; Y120-I164 HydrophobicContact CE1-CG1 3.94Å; Q122-I164 HydrophobicContact CG-CG2 3.96Å; Q122-I164 VanDerWaalsContact NE2-CG2 3.3Å; I123-I164 HydrophobicContact CG1-CG2 4.44Å; L160-I164 HydrophobicContact CD1-CD1 4.02Å; L160-I164 HydrophobicContact CD1-CG1 4.28Å; L160-I164 HydrophobicContact CG-CD1 3.93Å; L160-I164 WeakPolarHBondContact O-CD1 3.26Å; L160-I164 VanDerWaalsContact O-CG1 3.28Å; L160-I164 WeakPolarHBondContact O-CG1 3.42Å; L160-I164 PolarHBondContact O-N 2.93Å; S161-I164 PolarHBondContact O-N 3.25Å; E162-I164 PolarHBondContact O-N 2.88Å; I164-Q166 PolarHBondContact O-N 3.47Å; I164-T167 PolarHBondContact O-N 3.4Å; I164-L184 HydrophobicContact CG1-CD2 3.54Å
165	R	98	Very high	95	Very high	164 Å²	164	60.4 Å²	60.4	62%	0.619	34%	0.34	S	S	*	.	H	α-helix	trans	-66.5	-35	-178	-165.3	-172.5	71.4	84.2	-12.7	113.8	S161 E162 T163	S161-R165 WeakPolarHBondContact O-CB 3.22Å; S161-R165 PolarHBondContact O-N 3.13Å; E162-R165 PolarHBondContact O-N 3.22Å; E162-R165 IonicContact OE1-CZ 3.92Å; E162-R165 IonicContact OE1-NE 3.4Å; E162-R165 IonicContact OE1-NH2 2.68Å; E162-R165 PolarHBondContact OE1-NH2 3.04Å; E162-R165 IonicContact OE2-CZ 3.34Å; E162-R165 IonicContact OE2-NE 2.77Å; E162-R165 PolarHBondContact OE2-NE 3.09Å; E162-R165 IonicContact OE2-NH2 2.83Å; E162-R165 PolarHBondContact OE2-NH2 2.94Å; T163-R165 VanDerWaalsContact C-N 3.29Å; T163-R165 PolarHBondContact O-N 2.9Å
166	Q	97.6	Very high	94.9	Very high	28 Å²	28	59.2 Å²	59.2	13%	0.131	34%	0.335	C	S	.	.	H	α-helix	trans	-91.3	-9.8	-177	-68	-74.3	-9.2	0	0	113.3	I143 K147 E162 T163 I164 T168	I143-Q166 HydrophobicContact CD1-CB 3.49Å; I143-Q166 VanDerWaalsContact CD1-CB 3.49Å; K147-Q166 VanDerWaalsContact CD-CD 3.42Å; K147-Q166 HydrophobicContact CD-CG 4.38Å; E162-Q166 HydrophobicContact CG-CG 4.04Å; E162-Q166 WeakPolarHBondContact O-CB 3.29Å; E162-Q166 VanDerWaalsContact O-CG 3.31Å; E162-Q166 WeakPolarHBondContact O-CG 3.37Å; E162-Q166 PolarHBondContact O-N 3.09Å; E162-Q166 WeakPolarHBondContact OE1-CG 3.35Å; E162-Q166 PolarHBondContact OE1-NE2 3.39Å; T163-Q166 PolarHBondContact O-N 2.77Å; I164-Q166 PolarHBondContact O-N 3.47Å; Q166-T168 PolarHBondContact O-N 3.05Å
167	T	98.3	Very high	94.9	Very high	16 Å²	16	60.1 Å²	60.1	10%	0.098	33%	0.333	C	S	.	.			trans	-63.7	128.9	-178.1	-65.4	0	0	0	0	110.3	I123 L141 T163 I164 V180	I123-T167 HydrophobicContact CD1-CG2 4.17Å; I123-T167 HydrophobicContact CG2-CG2 4.02Å; L141-T167 HydrophobicContact CB-CG2 4.44Å; L141-T167 HydrophobicContact CD2-CG2 3.72Å; T163-T167 WeakPolarHBondContact O-CB 3.33Å; T163-T167 PolarHBondContact O-N 2.93Å; T163-T167 PolarHBondContact O-OG1 3.37Å; I164-T167 PolarHBondContact O-N 3.4Å; T167-V180 HydrophobicContact CG2-CG2 4.03Å; T167-V180 VanDerWaalsContact OG1-CG2 3.25Å; T167-V180 WeakPolarHBondContact OG1-CG2 3.45Å
168	T	97.1	Very high	94.9	Very high	87 Å²	87	57.3 Å²	57.3	53%	0.534	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	166.8	170.9	56.6	0	0	0	0	109.8	L141 R142 Q166	L141-T168 CarbonylContact C-O 3.6Å; L141-T168 WeakPolarHBondContact CA-O 3.5Å; R142-T168 WeakPolarHBondContact CB-OG1 3.4Å; R142-T168 PolarHBondContact N-O 3.17Å; R142-T168 PolarHBondContact O-N 2.66Å; Q166-T168 PolarHBondContact O-N 3.05Å
169	V	97	Very high	94.8	Very high	36 Å²	36	52.4 Å²	52.4	22%	0.218	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	124.6	-178.8	-170.6	0	0	0	0	109.5	I123 S124 N125 I129 L141	I123-V169 HydrophobicContact CG2-CG2 4.05Å; S124-V169 WeakPolarHBondContact O-CG2 3.09Å; N125-V169 HydrophobicContact CB-CG1 4.39Å; I129-V169 HydrophobicContact CD1-CG1 4.16Å; I129-V169 HydrophobicContact CD1-CG2 4.34Å; L141-V169 HydrophobicContact CD2-CG2 3.74Å
170	A	95.2	Very high	94.8	Very high	27 Å²	27	52.4 Å²	52.4	22%	0.223	30%	0.3	C	S	.	.			trans	-66.9	151.2	173.4	0	0	0	0	0	110.8	G140 R142 N172	G140-A170 WeakPolarHBondContact O-CB 3.33Å; G140-A170 PolarHBondContact O-N 3.3Å; R142-A170 HydrophobicContact CG-CB 4.38Å; A170-N172 PolarHBondContact O-N 3.11Å
171	A	86.4	Confident	94.9	Very high	117 Å²	117	51.8 Å²	51.8	97%	0.967	30%	0.297	S	S	*	.	S	Bend	trans	-66.1	-24.7	-178.3	0	0	0	0	0	113.4
172	N	79.9	Confident	94.9	Very high	105 Å²	105	48.5 Å²	48.5	56%	0.561	27%	0.274	S	S	*	.	S	Bend	trans	-116.7	133.9	177.8	58.7	-11.1	0	0	0	111.8	A170 S174	A170-N172 PolarHBondContact O-N 3.11Å; N172-S174 PolarHBondContact O-N 2.71Å
173	S	78.3	Confident	94.9	Very high	97 Å²	97	47.3 Å²	47.3	68%	0.678	27%	0.268	S	S	*	.			trans	-90.4	97	172.2	54.6	0	0	0	0	109.2	S138	S138-S173 WeakPolarHBondContact O-CB 3.37Å
174	S	90.2	Very high	95	Very high	54 Å²	54	47.1 Å²	47.1	38%	0.378	27%	0.268	S	S	.	.	S	Bend	trans	-138.2	162.5	165.5	62.4	0	0	0	0	109	N172 S176	N172-S174 PolarHBondContact O-N 2.71Å; S174-S176 PolarHBondContact O-N 2.75Å; S174-S176 VanDerWaalsContact O-N 3.07Å
175	Y	96.5	Very high	95	Very high	81 Å²	81	45.8 Å²	45.8	32%	0.318	26%	0.261	S	S	.	.			trans	-45	119.4	176.2	171.3	-98.6	0	0	0	111.9	M137 E289 Y291 Y296	M137-Y175 HydrophobicContact CB-CD2 4.03Å; M137-Y175 HydrophobicContact CB-CE2 4.02Å; Y175-E289 WeakPolarHBondContact CB-OE1 3.42Å; Y175-E289 PolarHBondContact N-OE1 2.94Å; Y175-Y291 HydrophobicContact CE2-CD1 4.44Å; Y175-Y291 AromaticContact CE2-CG 3.92Å; Y175-Y291 HydrophobicContact CE2-CG 3.92Å; Y175-Y296 PolarHBondContact OH-OH 2.94Å
176	S	96.2	Very high	95	Very high	29 Å²	29	38 Å²	38	20%	0.203	23%	0.231	C	C	.	.			trans	-152	113.6	171.1	-178.8	0	0	0	0	109	M137 R142 S174 Q178	M137-S176 PolarHBondContact O-N 3Å; R142-S176 VanDerWaalsContact NH1-CB 3.27Å; R142-S176 PolarHBondContact NH1-OG 3.25Å; R142-S176 PolarHBondContact NH2-OG 3.44Å; R142-S176 VanDerWaalsContact NH2-OG 3.11Å; S174-S176 PolarHBondContact O-N 2.75Å; S174-S176 VanDerWaalsContact O-N 3.07Å; S176-Q178 WeakPolarHBondContact O-CG 3.27Å; S176-Q178 PolarHBondContact O-N 3.03Å
177	Y	97.1	Very high	95.1	Very high	69 Å²	69	36.7 Å²	36.7	27%	0.271	23%	0.225	S	C	.	.			trans	-61.4	113.6	-178	-165.5	-80	0	0	0	110.7	S91 K94 M137 Y291	S91-Y177 WeakPolarHBondContact CB-OH 3.33Å; S91-Y177 PolarHBondContact OG-OH 3.1Å; K94-Y177 WeakPolarHBondContact CD-OH 3.34Å; K94-Y177 WeakPolarHBondContact CE-OH 3.3Å; K94-Y177 PolarHBondContact NZ-OH 3.18Å; M137-Y177 HydrophobicContact CE-CD2 4.14Å; M137-Y177 HydrophobicContact CE-CE1 4.34Å; M137-Y177 HydrophobicContact CE-CE2 3.88Å; Y177-Y291 HydrophobicContact CE2-CE2 4.12Å
178	Q	97.4	Very high	95.1	Very high	32 Å²	32	36 Å²	36	15%	0.15	22%	0.221	C	C	.	.			trans	-143.8	113.4	-174.5	-73.8	-68.1	-59.5	0	0	109.7	L141 S176 V180 N181	L141-Q178 VanDerWaalsContact O-CG 3.27Å; L141-Q178 WeakPolarHBondContact O-CG 3.49Å; S176-Q178 WeakPolarHBondContact O-CG 3.27Å; S176-Q178 PolarHBondContact O-N 3.03Å; Q178-V180 HydrophobicContact CB-CG1 3.97Å; Q178-V180 PolarHBondContact O-N 3.36Å; Q178-N181 WeakPolarHBondContact O-CB 3.32Å; Q178-N181 PolarHBondContact O-N 2.72Å; Q178-N181 PolarHBondContact O-ND2 3.21Å
179	P	97.2	Very high	95.2	Very high	12 Å²	12	31.9 Å²	31.9	8%	0.078	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-26.1	-173.5	22.2	-31.1	0	0	0	113.4	I143 E145 N181 Y182 V183 T251	I143-P179 HydrophobicContact CG2-CG 4.26Å; E145-P179 VanDerWaalsContact CD-CG 3.5Å; E145-P179 HydrophobicContact CG-CG 3.89Å; E145-P179 WeakPolarHBondContact OE1-CG 3.36Å; P179-N181 PolarHBondContact O-N 3.04Å; P179-Y182 PolarHBondContact O-N 3.01Å; P179-V183 PolarHBondContact O-N 3.29Å; P179-T251 HydrophobicContact CB-CG2 4.07Å; P179-T251 WeakPolarHBondContact O-CG2 3.5Å
180	V	98.4	Very high	95.3	Very high	2 Å²	2	31 Å²	31	1%	0.012	19%	0.189	C	C	.	.	H	α-helix	trans	-50.5	-33.1	174.8	54.3	0	0	0	0	113.6	L141 I143 T163 T167 Q178 Y182 V183 L184	L141-V180 HydrophobicContact CB-CG1 3.88Å; I143-V180 HydrophobicContact CB-CB 3.75Å; I143-V180 HydrophobicContact CB-CG1 3.93Å; I143-V180 HydrophobicContact CB-CG2 4.39Å; I143-V180 HydrophobicContact CG1-CB 4.38Å; I143-V180 HydrophobicContact CG2-CB 3.78Å; I143-V180 HydrophobicContact CG2-CG1 3.88Å; T163-V180 HydrophobicContact CG2-CB 4.3Å; T163-V180 HydrophobicContact CG2-CG2 3.71Å; T167-V180 HydrophobicContact CG2-CG2 4.03Å; T167-V180 VanDerWaalsContact OG1-CG2 3.25Å; T167-V180 WeakPolarHBondContact OG1-CG2 3.45Å; Q178-V180 HydrophobicContact CB-CG1 3.97Å; Q178-V180 PolarHBondContact O-N 3.36Å; V180-Y182 VanDerWaalsContact C-N 3.27Å; V180-Y182 PolarHBondContact O-N 3.41Å; V180-V183 PolarHBondContact O-N 2.89Å; V180-L184 HydrophobicContact CG2-CD1 3.85Å; V180-L184 HydrophobicContact CG2-CG 4.02Å; V180-L184 WeakPolarHBondContact O-CB 3.43Å; V180-L184 VanDerWaalsContact O-CG 3.29Å; V180-L184 WeakPolarHBondContact O-CG 3.28Å; V180-L184 PolarHBondContact O-N 3.35Å
181	N	98.7	Very high	95.5	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-53.1	-48.4	174	-73.1	-70	0	0	0	111.3	M134 M137 S139 Q178 P179 L185	M134-N181 WeakPolarHBondContact CA-OD1 3.2Å; M134-N181 HydrophobicContact CB-CB 4.19Å; M134-N181 WeakPolarHBondContact CE-O 3.38Å; M134-N181 WeakPolarHBondContact O-CB 3.3Å; M137-N181 HydrophobicContact SD-CB 3.9Å; M137-N181 PolarHBondContact SD-ND2 2.91Å; S139-N181 WeakPolarHBondContact CB-OD1 3.45Å; S139-N181 PolarHBondContact OG-OD1 2.89Å; Q178-N181 WeakPolarHBondContact O-CB 3.32Å; Q178-N181 PolarHBondContact O-N 2.72Å; Q178-N181 PolarHBondContact O-ND2 3.21Å; P179-N181 PolarHBondContact O-N 3.04Å; N181-L185 VanDerWaalsContact O-CG 3.25Å; N181-L185 WeakPolarHBondContact O-CG 3.47Å; N181-L185 PolarHBondContact O-N 3.2Å
182	Y	98.9	Very high	96	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-83.5	-28.3	-173.7	-82.1	-100	0	0	0	113.1	K94 T97 A98 L135 M137 P179 V180 L184 L185 A186 Y291 S293 G294	K94-Y182 HydrophobicContact CB-CD1 3.66Å; K94-Y182 HydrophobicContact CB-CE1 3.47Å; K94-Y182 VanDerWaalsContact CB-CE1 3.47Å; K94-Y182 HydrophobicContact CB-CE2 4.41Å; K94-Y182 HydrophobicContact CB-CG 4.2Å; K94-Y182 HydrophobicContact CD-CD1 4.24Å; K94-Y182 HydrophobicContact CD-CD2 3.82Å; K94-Y182 HydrophobicContact CD-CE1 4.47Å; K94-Y182 HydrophobicContact CD-CE2 4.07Å; K94-Y182 HydrophobicContact CD-CG 3.9Å; K94-Y182 HydrophobicContact CG-CD1 3.65Å; K94-Y182 HydrophobicContact CG-CD2 4.16Å; K94-Y182 HydrophobicContact CG-CE1 3.97Å; K94-Y182 HydrophobicContact CG-CE2 4.45Å; K94-Y182 HydrophobicContact CG-CG 3.75Å; K94-Y182 WeakPolarHBondContact O-CE1 3.48Å; T97-Y182 HydrophobicContact CG2-CD1 3.86Å; A98-Y182 HydrophobicContact CB-CE1 4.36Å; L135-Y182 HydrophobicContact CD2-CE1 4.49Å; L135-Y182 PolarHBondContact O-OH 3.46Å; M137-Y182 HydrophobicContact CE-CD2 3.43Å; M137-Y182 VanDerWaalsContact CE-CD2 3.43Å; M137-Y182 HydrophobicContact CE-CE2 3.43Å; M137-Y182 VanDerWaalsContact CE-CE2 3.43Å; M137-Y182 HydrophobicContact SD-CD2 4.17Å; M137-Y182 HydrophobicContact SD-CE2 4.09Å; P179-Y182 PolarHBondContact O-N 3.01Å; V180-Y182 VanDerWaalsContact C-N 3.27Å; V180-Y182 PolarHBondContact O-N 3.41Å; Y182-L184 VanDerWaalsContact C-N 3.34Å; Y182-L185 HydrophobicContact CD1-CD1 4.15Å; Y182-L185 HydrophobicContact CD2-CD1 4.43Å; Y182-L185 HydrophobicContact CE1-CD1 4.2Å; Y182-L185 HydrophobicContact CE2-CD1 4.48Å; Y182-L185 HydrophobicContact CG-CD1 4.27Å; Y182-L185 PolarHBondContact O-N 3.06Å; Y182-A186 PolarHBondContact O-N 3.47Å; Y182-Y291 HydrophobicContact CE2-CE1 4.37Å; Y182-S293 WeakPolarHBondContact OH-CA 3.35Å; Y182-G294 PolarHBondContact OH-N 3.05Å
183	V	98.8	Very high	96.9	Very high	6 Å²	6	26.1 Å²	26.1	4%	0.036	14%	0.138	C	C	.	.	H	α-helix	trans	-62.2	-44.9	169.1	-178.9	0	0	0	0	110.3	L160 T163 P179 V180 A186 G187 L249 T251	L160-V183 HydrophobicContact CD1-CG1 4.19Å; T163-V183 HydrophobicContact CG2-CB 4.07Å; T163-V183 HydrophobicContact CG2-CG1 3.81Å; P179-V183 PolarHBondContact O-N 3.29Å; V180-V183 PolarHBondContact O-N 2.89Å; V183-A186 WeakPolarHBondContact O-CB 3.31Å; V183-A186 PolarHBondContact O-N 3.49Å; V183-G187 PolarHBondContact O-N 2.61Å; V183-L249 HydrophobicContact CG1-CB 4.48Å; V183-L249 HydrophobicContact CG1-CD2 4.34Å; V183-T251 HydrophobicContact CG2-CG2 3.86Å
184	L	98.9	Very high	97.9	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-68.4	-37.3	177.2	-67.3	-179.4	0	0	0	112.3	Y120 I123 M134 L141 L160 T163 I164 V180 Y182 A186 G187 I188	Y120-L184 HydrophobicContact CD2-CD2 4.18Å; Y120-L184 HydrophobicContact CE2-CB 3.95Å; Y120-L184 HydrophobicContact CE2-CD2 3.89Å; Y120-L184 HydrophobicContact CE2-CG 4.41Å; Y120-L184 PolarHBondContact OH-O 3.14Å; Y120-L184 VanDerWaalsContact OH-O 3.09Å; I123-L184 HydrophobicContact CD1-CD1 3.73Å; I123-L184 HydrophobicContact CD1-CD2 4.29Å; M134-L184 HydrophobicContact CE-CB 3.5Å; M134-L184 VanDerWaalsContact CE-CB 3.5Å; M134-L184 HydrophobicContact CE-CD1 4.46Å; L141-L184 HydrophobicContact CD1-CD1 3.72Å; L160-L184 HydrophobicContact CD1-CD2 4.37Å; T163-L184 HydrophobicContact CG2-CD2 4.42Å; I164-L184 HydrophobicContact CG1-CD2 3.54Å; V180-L184 HydrophobicContact CG2-CD1 3.85Å; V180-L184 HydrophobicContact CG2-CG 4.02Å; V180-L184 WeakPolarHBondContact O-CB 3.43Å; V180-L184 VanDerWaalsContact O-CG 3.29Å; V180-L184 WeakPolarHBondContact O-CG 3.28Å; V180-L184 PolarHBondContact O-N 3.35Å; Y182-L184 VanDerWaalsContact C-N 3.34Å; L184-A186 VanDerWaalsContact C-N 3.32Å; L184-A186 PolarHBondContact O-N 3.45Å; L184-G187 PolarHBondContact O-N 2.98Å; L184-I188 WeakPolarHBondContact O-CG1 3.41Å; L184-I188 PolarHBondContact O-N 2.99Å
185	L	98.9	Very high	98.3	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-61.3	-39.6	172	-72.1	170.5	0	0	0	111.8	T97 I101 I131 M134 L135 N181 Y182 I188 L189	T97-L185 HydrophobicContact CG2-CB 4.32Å; I101-L185 HydrophobicContact CD1-CB 4.11Å; I101-L185 HydrophobicContact CD1-CD2 3.75Å; I101-L185 HydrophobicContact CD1-CG 4.46Å; I101-L185 HydrophobicContact CG1-CB 4.26Å; I101-L185 HydrophobicContact CG1-CD2 4.06Å; I131-L185 HydrophobicContact CG2-CD2 3.94Å; M134-L185 HydrophobicContact CB-CD1 4.13Å; M134-L185 HydrophobicContact CB-CD2 4.15Å; M134-L185 HydrophobicContact CB-CG 4.14Å; M134-L185 HydrophobicContact CE-CD2 3.86Å; M134-L185 HydrophobicContact CE-CG 3.72Å; M134-L185 HydrophobicContact SD-CD2 4.06Å; M134-L185 HydrophobicContact SD-CG 4.47Å; L135-L185 HydrophobicContact CD2-CD1 3.7Å; L135-L185 HydrophobicContact CG-CD1 4.1Å; N181-L185 VanDerWaalsContact O-CG 3.25Å; N181-L185 WeakPolarHBondContact O-CG 3.47Å; N181-L185 PolarHBondContact O-N 3.2Å; Y182-L185 HydrophobicContact CD1-CD1 4.15Å; Y182-L185 HydrophobicContact CD2-CD1 4.43Å; Y182-L185 HydrophobicContact CE1-CD1 4.2Å; Y182-L185 HydrophobicContact CE2-CD1 4.48Å; Y182-L185 HydrophobicContact CG-CD1 4.27Å; Y182-L185 PolarHBondContact O-N 3.06Å; L185-I188 HydrophobicContact CD2-CD1 4.41Å; L185-I188 PolarHBondContact O-N 2.6Å; L185-L189 WeakPolarHBondContact O-CG 3.41Å; L185-L189 PolarHBondContact O-N 3.22Å
186	A	98.9	Very high	98.3	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-60.6	-45.8	173.3	0	0	0	0	0	111.1	Y182 V183 L184 I188 L189 E190 Y197 L249	Y182-A186 PolarHBondContact O-N 3.47Å; V183-A186 WeakPolarHBondContact O-CB 3.31Å; V183-A186 PolarHBondContact O-N 3.49Å; L184-A186 VanDerWaalsContact C-N 3.32Å; L184-A186 PolarHBondContact O-N 3.45Å; A186-I188 VanDerWaalsContact C-N 3.33Å; A186-I188 PolarHBondContact O-N 3.44Å; A186-L189 WeakPolarHBondContact O-CB 3.05Å; A186-L189 PolarHBondContact O-N 2.63Å; A186-E190 WeakPolarHBondContact O-CG 3.45Å; A186-E190 PolarHBondContact O-N 3.1Å; A186-Y197 HydrophobicContact CB-CD2 3.66Å; A186-Y197 HydrophobicContact CB-CE2 4.1Å; A186-Y197 HydrophobicContact CB-CG 4.22Å; A186-L249 HydrophobicContact CB-CG 4.15Å
187	G	98.9	Very high	98.4	Very high	1 Å²	1	27.1 Å²	27.1	1%	0.01	13%	0.13	C	C	.	.	H	α-helix	trans	-64.3	-33.5	174.8	0	0	0	0	0	113.9	Y120 V183 L184 L189 E190 Q191	Y120-G187 WeakPolarHBondContact OH-CA 3.37Å; V183-G187 PolarHBondContact O-N 2.61Å; L184-G187 PolarHBondContact O-N 2.98Å; G187-L189 VanDerWaalsContact C-N 3.35Å; G187-E190 PolarHBondContact O-N 3.49Å; G187-Q191 WeakPolarHBondContact O-CG 3.5Å; G187-Q191 PolarHBondContact O-N 3.42Å
188	I	98.9	Very high	98.5	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-62.8	-44.8	173	-71.2	168.8	0	0	0	109.9	L116 F119 Y120 I131 M134 L184 L185 A186 E190 Q191 V192	L116-I188 HydrophobicContact CD1-CD1 4.16Å; F119-I188 HydrophobicContact CB-CD1 4.41Å; F119-I188 HydrophobicContact CB-CG1 3.86Å; F119-I188 HydrophobicContact CD1-CG1 4.18Å; F119-I188 HydrophobicContact CD1-CG2 4.08Å; F119-I188 HydrophobicContact CD2-CD1 3.74Å; F119-I188 HydrophobicContact CD2-CG1 3.8Å; F119-I188 HydrophobicContact CD2-CG2 4.21Å; F119-I188 HydrophobicContact CE1-CG2 3.91Å; F119-I188 HydrophobicContact CE2-CD1 4.29Å; F119-I188 HydrophobicContact CE2-CG1 4.43Å; F119-I188 HydrophobicContact CE2-CG2 4.04Å; F119-I188 HydrophobicContact CG-CB 4.47Å; F119-I188 HydrophobicContact CG-CD1 4.13Å; F119-I188 HydrophobicContact CG-CG1 3.66Å; F119-I188 HydrophobicContact CG-CG2 4.24Å; F119-I188 HydrophobicContact CZ-CG2 3.9Å; Y120-I188 HydrophobicContact CE2-CD1 4.14Å; Y120-I188 HydrophobicContact CE2-CG1 3.7Å; Y120-I188 PolarHBondContact OH-N 2.98Å; I131-I188 HydrophobicContact CD1-CG2 4.47Å; M134-I188 HydrophobicContact CE-CD1 4.18Å; M134-I188 HydrophobicContact SD-CD1 4.33Å; L184-I188 WeakPolarHBondContact O-CG1 3.41Å; L184-I188 PolarHBondContact O-N 2.99Å; L185-I188 HydrophobicContact CD2-CD1 4.41Å; L185-I188 PolarHBondContact O-N 2.6Å; A186-I188 VanDerWaalsContact C-N 3.33Å; A186-I188 PolarHBondContact O-N 3.44Å; I188-E190 VanDerWaalsContact C-N 3.29Å; I188-E190 PolarHBondContact O-N 3.18Å; I188-Q191 PolarHBondContact O-N 2.89Å; I188-V192 HydrophobicContact CG2-CG1 4.27Å; I188-V192 WeakPolarHBondContact O-CG1 3.29Å; I188-V192 WeakPolarHBondContact O-CG2 3.3Å; I188-V192 PolarHBondContact O-N 3.31Å
189	L	98.9	Very high	98.5	Very high	1 Å²	1	27.8 Å²	27.8	1%	0.005	15%	0.146	C	C	.	.	H	α-helix	trans	-57.7	-42.7	175.1	-72.3	167	0	0	0	111.5	T97 L100 I101 A104 L185 A186 G187 V192 Y193 Y197 L200	T97-L189 HydrophobicContact CG2-CD1 4.4Å; L100-L189 HydrophobicContact CB-CD1 3.59Å; L100-L189 HydrophobicContact CB-CD2 4.08Å; L100-L189 HydrophobicContact CD1-CD1 4.24Å; I101-L189 HydrophobicContact CD1-CD1 4.14Å; I101-L189 HydrophobicContact CD1-CD2 3.88Å; I101-L189 HydrophobicContact CD1-CG 3.7Å; I101-L189 HydrophobicContact CG1-CD1 4.23Å; I101-L189 HydrophobicContact CG1-CD2 4.39Å; I101-L189 HydrophobicContact CG1-CG 4.3Å; A104-L189 HydrophobicContact CB-CD2 4.21Å; L185-L189 WeakPolarHBondContact O-CG 3.41Å; L185-L189 PolarHBondContact O-N 3.22Å; A186-L189 WeakPolarHBondContact O-CB 3.05Å; A186-L189 PolarHBondContact O-N 2.63Å; G187-L189 VanDerWaalsContact C-N 3.35Å; L189-V192 PolarHBondContact O-N 3.36Å; L189-Y193 HydrophobicContact CD2-CD2 4.43Å; L189-Y193 HydrophobicContact CD2-CE2 4.14Å; L189-Y193 WeakPolarHBondContact O-CB 3.43Å; L189-Y193 WeakPolarHBondContact O-CD2 3.25Å; L189-Y193 PolarHBondContact O-N 2.96Å; L189-Y197 HydrophobicContact CD1-CD2 4.28Å; L189-Y197 HydrophobicContact CD1-CE2 4.14Å; L189-L200 HydrophobicContact CB-CD1 4.06Å; L189-L200 WeakPolarHBondContact O-CD1 3.39Å
190	E	98.8	Very high	98.6	Very high	19 Å²	19	27.3 Å²	27.3	9%	0.089	14%	0.143	C	C	.	.	H	α-helix	trans	-63	-42.6	177	-65	-172.6	158.5	0	0	112.3	Q157 A186 G187 I188 H194 T195 D196 Y197	Q157-E190 PolarHBondContact NE2-OE2 3.17Å; A186-E190 WeakPolarHBondContact O-CG 3.45Å; A186-E190 PolarHBondContact O-N 3.1Å; G187-E190 PolarHBondContact O-N 3.49Å; I188-E190 VanDerWaalsContact C-N 3.29Å; I188-E190 PolarHBondContact O-N 3.18Å; E190-H194 VanDerWaalsContact O-CA 3.28Å; E190-H194 WeakPolarHBondContact O-CA 3.35Å; E190-H194 PolarHBondContact O-N 3.36Å; E190-T195 VanDerWaalsContact CA-O 3.23Å; E190-T195 WeakPolarHBondContact CA-O 3.23Å; E190-T195 WeakPolarHBondContact CB-O 3.12Å; E190-T195 WeakPolarHBondContact CG-O 3.37Å; E190-T195 PolarHBondContact O-N 2.92Å; E190-D196 WeakPolarHBondContact OE1-CA 3.47Å; E190-Y197 PolarHBondContact OE1-N 3.33Å
191	Q	98.7	Very high	98.6	Very high	80 Å²	80	27.3 Å²	27.3	37%	0.374	14%	0.143	S	C	.	.	H	α-helix	trans	-63.4	-46.3	178	-71.6	-175.4	46.2	0	0	112.4	G187 I188 Y193 H194	G187-Q191 WeakPolarHBondContact O-CG 3.5Å; G187-Q191 PolarHBondContact O-N 3.42Å; I188-Q191 PolarHBondContact O-N 2.89Å; Q191-Y193 PolarHBondContact O-N 3.07Å; Q191-H194 PolarHBondContact O-CE1 3.04Å; Q191-H194 PolarHBondContact O-ND1 2.92Å; Q191-H194 VanDerWaalsContact O-ND1 3.15Å
192	V	98.6	Very high	98.6	Very high	19 Å²	19	28.9 Å²	28.9	12%	0.115	15%	0.151	C	C	.	.	H	α-helix	trans	-79.7	-17.9	-172	-57	0	0	0	0	113.9	K109 I110 F119 I188 L189	K109-V192 PolarHBondContact NZ-O 3.27Å; I110-V192 HydrophobicContact CG2-CB 4.42Å; I110-V192 HydrophobicContact CG2-CG1 3.61Å; F119-V192 HydrophobicContact CD1-CG1 4.45Å; F119-V192 HydrophobicContact CE1-CG1 3.58Å; F119-V192 HydrophobicContact CZ-CG1 4.24Å; I188-V192 HydrophobicContact CG2-CG1 4.27Å; I188-V192 WeakPolarHBondContact O-CG1 3.29Å; I188-V192 WeakPolarHBondContact O-CG2 3.3Å; I188-V192 PolarHBondContact O-N 3.31Å; L189-V192 PolarHBondContact O-N 3.36Å
193	Y	98.5	Very high	98.6	Very high	46 Å²	46	35.5 Å²	35.5	18%	0.18	18%	0.18	C	C	.	.	H	α-helix	trans	-108.4	-9.8	175.1	-76	-82.4	0	0	0	114.2	A104 K109 L189 Q191 T195 L200 L204	A104-Y193 WeakPolarHBondContact CA-OH 3.48Å; A104-Y193 HydrophobicContact CB-CE2 3.83Å; K109-Y193 HydrophobicContact CD-CD1 4.01Å; K109-Y193 HydrophobicContact CD-CD2 4.4Å; K109-Y193 HydrophobicContact CD-CE1 3.63Å; K109-Y193 HydrophobicContact CD-CE2 4.05Å; K109-Y193 HydrophobicContact CD-CG 4.37Å; K109-Y193 VanDerWaalsContact CE-CE1 3.44Å; L189-Y193 HydrophobicContact CD2-CD2 4.43Å; L189-Y193 HydrophobicContact CD2-CE2 4.14Å; L189-Y193 WeakPolarHBondContact O-CB 3.43Å; L189-Y193 WeakPolarHBondContact O-CD2 3.25Å; L189-Y193 PolarHBondContact O-N 2.96Å; Q191-Y193 PolarHBondContact O-N 3.07Å; Y193-T195 VanDerWaalsContact C-N 3.3Å; Y193-T195 PolarHBondContact O-N 2.78Å; Y193-L200 VanDerWaalsContact CB-CD2 3.48Å; Y193-L200 HydrophobicContact CD1-CD2 3.77Å; Y193-L200 HydrophobicContact CD2-CD1 4.04Å; Y193-L200 HydrophobicContact CD2-CD2 3.66Å; Y193-L200 HydrophobicContact CE1-CD2 4.39Å; Y193-L200 HydrophobicContact CE2-CD2 4.28Å; Y193-L200 HydrophobicContact CG-CD1 4.24Å; Y193-L200 HydrophobicContact CG-CD2 3.37Å; Y193-L200 HydrophobicContact CG-CG 4.44Å; Y193-L204 HydrophobicContact CE1-CD1 3.92Å; Y193-L204 HydrophobicContact CE2-CD1 4.11Å
194	H	98	Very high	98.5	Very high	172 Å²	172	36.9 Å²	36.9	80%	0.796	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.2	42	-177.6	-50.4	-63.9	0	0	0	113.3	E190 Q191	E190-H194 VanDerWaalsContact O-CA 3.28Å; E190-H194 WeakPolarHBondContact O-CA 3.35Å; E190-H194 PolarHBondContact O-N 3.36Å; Q191-H194 PolarHBondContact O-CE1 3.04Å; Q191-H194 PolarHBondContact O-ND1 2.92Å; Q191-H194 VanDerWaalsContact O-ND1 3.15Å
195	T	98.4	Very high	98.5	Very high	47 Å²	47	36.9 Å²	36.9	29%	0.288	19%	0.187	S	C	.	.	S	Bend	trans	-154.5	159.4	177.1	179.5	0	0	0	0	109.3	E190 Y193 T199 L200	E190-T195 VanDerWaalsContact CA-O 3.23Å; E190-T195 WeakPolarHBondContact CA-O 3.23Å; E190-T195 WeakPolarHBondContact CB-O 3.12Å; E190-T195 WeakPolarHBondContact CG-O 3.37Å; E190-T195 PolarHBondContact O-N 2.92Å; Y193-T195 VanDerWaalsContact C-N 3.3Å; Y193-T195 PolarHBondContact O-N 2.78Å; T195-T199 WeakPolarHBondContact OG1-CB 3.43Å; T195-T199 WeakPolarHBondContact OG1-CG2 3.27Å; T195-L200 HydrophobicContact CG2-CD1 3.94Å; T195-L200 HydrophobicContact CG2-CD2 3.56Å; T195-L200 HydrophobicContact CG2-CG 3.49Å; T195-L200 VanDerWaalsContact CG2-CG 3.49Å
196	D	98	Very high	98.5	Very high	59 Å²	59	39 Å²	39	32%	0.316	20%	0.195	S	C	.	.			trans	-67.5	157.7	-179.8	70.4	91.2	0	0	0	113.3	E190 S198 T199 L200	E190-D196 WeakPolarHBondContact OE1-CA 3.47Å; D196-S198 VanDerWaalsContact C-N 3.3Å; D196-S198 PolarHBondContact O-N 2.88Å; D196-S198 WeakPolarHBondContact OD1-CA 3.49Å; D196-S198 WeakPolarHBondContact OD1-CB 3.48Å; D196-S198 PolarHBondContact OD1-N 3.46Å; D196-S198 PolarHBondContact OD1-OG 2.78Å; D196-T199 PolarHBondContact O-N 3.36Å; D196-T199 PolarHBondContact OD1-N 2.83Å; D196-T199 PolarHBondContact OD1-OG1 3.07Å; D196-T199 VanDerWaalsContact OD2-CB 3.28Å; D196-T199 WeakPolarHBondContact OD2-CB 3.45Å; D196-T199 PolarHBondContact OD2-OG1 2.98Å; D196-L200 PolarHBondContact O-N 2.88Å; D196-L200 VanDerWaalsContact O-N 3.13Å
197	Y	98.6	Very high	98.4	Very high	4 Å²	4	46.1 Å²	46.1	2%	0.016	23%	0.226	C	C	.	.	H	α-helix	trans	-58.3	-38	-178	176.9	-93	0	0	0	113.1	T97 L100 A186 L189 E190 L200 F201 F216 L249	T97-Y197 HydrophobicContact CG2-CE2 4.18Å; T97-Y197 PolarHBondContact OG1-OH 2.91Å; L100-Y197 HydrophobicContact CD1-CE2 3.82Å; A186-Y197 HydrophobicContact CB-CD2 3.66Å; A186-Y197 HydrophobicContact CB-CE2 4.1Å; A186-Y197 HydrophobicContact CB-CG 4.22Å; L189-Y197 HydrophobicContact CD1-CD2 4.28Å; L189-Y197 HydrophobicContact CD1-CE2 4.14Å; E190-Y197 PolarHBondContact OE1-N 3.33Å; Y197-L200 PolarHBondContact O-N 2.81Å; Y197-F201 HydrophobicContact CE1-CB 4.45Å; Y197-F201 HydrophobicContact CE1-CD2 4.26Å; Y197-F201 WeakPolarHBondContact O-CB 3.49Å; Y197-F201 PolarHBondContact O-N 3.28Å; Y197-F216 HydrophobicContact CD1-CE1 4.06Å; Y197-F216 AromaticContact CD1-CZ 3.93Å; Y197-F216 HydrophobicContact CD1-CZ 3.93Å; Y197-F216 AromaticContact CE1-CE1 3.85Å; Y197-F216 HydrophobicContact CE1-CE1 3.85Å; Y197-F216 AromaticContact CE1-CZ 3.74Å; Y197-F216 HydrophobicContact CE1-CZ 3.74Å; Y197-L249 HydrophobicContact CD1-CD1 4.38Å; Y197-L249 HydrophobicContact CG-CD1 4.39Å
198	S	98	Very high	98.4	Very high	53 Å²	53	48.5 Å²	48.5	37%	0.371	24%	0.241	S	C	.	.	H	α-helix	trans	-69.9	-40.4	-177.3	71.1	0	0	0	0	111.9	D196 L200 F201 D202	D196-S198 VanDerWaalsContact C-N 3.3Å; D196-S198 PolarHBondContact O-N 2.88Å; D196-S198 WeakPolarHBondContact OD1-CA 3.49Å; D196-S198 WeakPolarHBondContact OD1-CB 3.48Å; D196-S198 PolarHBondContact OD1-N 3.46Å; D196-S198 PolarHBondContact OD1-OG 2.78Å; S198-L200 VanDerWaalsContact C-N 3.31Å; S198-L200 PolarHBondContact O-N 3.4Å; S198-F201 PolarHBondContact O-N 3.2Å; S198-D202 PolarHBondContact O-N 3.18Å
199	T	98.3	Very high	98.3	Very high	62 Å²	62	48.9 Å²	48.9	38%	0.38	24%	0.243	S	C	.	.	H	α-helix	trans	-61.9	-38.7	172.1	-64	0	0	0	0	111.6	T195 D196 K203	T195-T199 WeakPolarHBondContact OG1-CB 3.43Å; T195-T199 WeakPolarHBondContact OG1-CG2 3.27Å; D196-T199 PolarHBondContact O-N 3.36Å; D196-T199 PolarHBondContact OD1-N 2.83Å; D196-T199 PolarHBondContact OD1-OG1 3.07Å; D196-T199 VanDerWaalsContact OD2-CB 3.28Å; D196-T199 WeakPolarHBondContact OD2-CB 3.45Å; D196-T199 PolarHBondContact OD2-OG1 2.98Å; T199-K203 VanDerWaalsContact O-CB 3.28Å; T199-K203 WeakPolarHBondContact O-CB 3.25Å; T199-K203 PolarHBondContact O-N 2.84Å
200	L	98.4	Very high	98.2	Very high	3 Å²	3	56.3 Å²	56.3	2%	0.016	28%	0.275	C	S	.	.	H	α-helix	trans	-67.7	-46.5	176.3	-74.3	164.8	0	0	0	112.7	L189 Y193 T195 D196 Y197 S198 D202 K203 L204	L189-L200 HydrophobicContact CB-CD1 4.06Å; L189-L200 WeakPolarHBondContact O-CD1 3.39Å; Y193-L200 VanDerWaalsContact CB-CD2 3.48Å; Y193-L200 HydrophobicContact CD1-CD2 3.77Å; Y193-L200 HydrophobicContact CD2-CD1 4.04Å; Y193-L200 HydrophobicContact CD2-CD2 3.66Å; Y193-L200 HydrophobicContact CE1-CD2 4.39Å; Y193-L200 HydrophobicContact CE2-CD2 4.28Å; Y193-L200 HydrophobicContact CG-CD1 4.24Å; Y193-L200 HydrophobicContact CG-CD2 3.37Å; Y193-L200 HydrophobicContact CG-CG 4.44Å; T195-L200 HydrophobicContact CG2-CD1 3.94Å; T195-L200 HydrophobicContact CG2-CD2 3.56Å; T195-L200 HydrophobicContact CG2-CG 3.49Å; T195-L200 VanDerWaalsContact CG2-CG 3.49Å; D196-L200 PolarHBondContact O-N 2.88Å; D196-L200 VanDerWaalsContact O-N 3.13Å; Y197-L200 PolarHBondContact O-N 2.81Å; S198-L200 VanDerWaalsContact C-N 3.31Å; S198-L200 PolarHBondContact O-N 3.4Å; L200-D202 PolarHBondContact O-N 3.41Å; L200-K203 PolarHBondContact O-N 2.86Å; L200-L204 HydrophobicContact CD2-CD1 4.07Å; L200-L204 WeakPolarHBondContact O-CB 3.45Å; L200-L204 PolarHBondContact O-N 2.94Å
201	F	98.7	Very high	98.1	Very high	2 Å²	2	55.6 Å²	55.6	1%	0.009	27%	0.272	C	S	.	.	H	α-helix	trans	-53.5	-46	175.2	-174.2	-79.2	0	0	0	110.4	Q96 L100 Y197 S198 L205 R206 T214 F216 V254	Q96-F201 HydrophobicContact CB-CD2 4.48Å; Q96-F201 HydrophobicContact CB-CE2 3.69Å; Q96-F201 HydrophobicContact CB-CZ 4.48Å; Q96-F201 HydrophobicContact CG-CE2 3.99Å; Q96-F201 HydrophobicContact CG-CZ 4.31Å; L100-F201 HydrophobicContact CD1-CB 4.3Å; L100-F201 HydrophobicContact CD1-CD2 4.33Å; Y197-F201 HydrophobicContact CE1-CB 4.45Å; Y197-F201 HydrophobicContact CE1-CD2 4.26Å; Y197-F201 WeakPolarHBondContact O-CB 3.49Å; Y197-F201 PolarHBondContact O-N 3.28Å; S198-F201 PolarHBondContact O-N 3.2Å; F201-L205 HydrophobicContact CD2-CD1 4.33Å; F201-L205 HydrophobicContact CE1-CD2 4.31Å; F201-L205 HydrophobicContact CE2-CD1 4.02Å; F201-L205 HydrophobicContact CZ-CD1 4.35Å; F201-L205 HydrophobicContact CZ-CD2 4.11Å; F201-L205 CarbonylContact O-C 3.57Å; F201-L205 WeakPolarHBondContact O-CA 3.44Å; F201-L205 VanDerWaalsContact O-CB 3.28Å; F201-L205 WeakPolarHBondContact O-CB 3.43Å; F201-L205 PolarHBondContact O-N 2.9Å; F201-R206 HydrophobicContact CD1-CB 4.08Å; F201-R206 HydrophobicContact CE1-CB 3.99Å; F201-R206 PolarHBondContact O-N 2.8Å; F201-T214 HydrophobicContact CE1-CG2 3.78Å; F201-T214 HydrophobicContact CZ-CG2 4.04Å; F201-F216 HydrophobicContact CB-CE2 3.95Å; F201-F216 HydrophobicContact CB-CZ 3.81Å; F201-F216 AromaticContact CD1-CE2 3.91Å; F201-F216 HydrophobicContact CD1-CE2 3.91Å; F201-F216 HydrophobicContact CD1-CZ 4.19Å; F201-F216 HydrophobicContact CD2-CZ 4.15Å; F201-F216 AromaticContact CG-CE2 3.94Å; F201-F216 HydrophobicContact CG-CE2 3.94Å; F201-F216 AromaticContact CG-CZ 3.8Å; F201-F216 HydrophobicContact CG-CZ 3.8Å; F201-V254 HydrophobicContact CE2-CG2 4.08Å; F201-V254 HydrophobicContact CZ-CG1 4.1Å; F201-V254 HydrophobicContact CZ-CG2 4.16Å
202	D	98.2	Very high	97.9	Very high	32 Å²	32	59.7 Å²	59.7	17%	0.171	29%	0.289	C	S	.	.	I	π-helix	trans	-62.1	-50.3	177.1	-85.4	4.9	0	0	0	113.6	S198 L200 R206 K207	S198-D202 PolarHBondContact O-N 3.18Å; L200-D202 PolarHBondContact O-N 3.41Å; D202-R206 IonicContact OD1-CZ 3.12Å; D202-R206 IonicContact OD1-NE 3.45Å; D202-R206 PolarHBondContact OD1-NE 2.85Å; D202-R206 IonicContact OD1-NH2 2.85Å; D202-R206 PolarHBondContact OD1-NH2 2.82Å; D202-R206 IonicContact OD2-CZ 3.71Å; D202-R206 IonicContact OD2-NE 2.78Å; D202-R206 IonicContact OD2-NH2 2.72Å; D202-R206 PolarHBondContact OD2-NH2 2.74Å; D202-K207 WeakPolarHBondContact O-CB 3.43Å; D202-K207 WeakPolarHBondContact O-CG 3.48Å; D202-K207 PolarHBondContact O-N 2.96Å
203	K	98.4	Very high	97.8	Very high	140 Å²	140	59.8 Å²	59.8	61%	0.609	29%	0.288	S	S	*	.	I	π-helix	trans	-70.1	-41	-171.8	-177.4	178.9	178.8	-179.6	0	112.4	T199 L200 P208	T199-K203 VanDerWaalsContact O-CB 3.28Å; T199-K203 WeakPolarHBondContact O-CB 3.25Å; T199-K203 PolarHBondContact O-N 2.84Å; L200-K203 PolarHBondContact O-N 2.86Å; K203-P208 WeakPolarHBondContact O-CD 3.46Å; K203-P208 VanDerWaalsContact O-CG 3.28Å; K203-P208 WeakPolarHBondContact O-CG 3.36Å
204	L	98.2	Very high	97.8	Very high	34 Å²	34	57.7 Å²	57.7	18%	0.178	28%	0.28	C	S	.	.	I	π-helix	trans	-102.6	-19.8	-169.8	-61.3	-179.4	0	0	0	113.5	Y99 L100 Y193 L200	Y99-L204 WeakPolarHBondContact CE1-O 3.46Å; L100-L204 HydrophobicContact CD2-CB 3.65Å; L100-L204 HydrophobicContact CD2-CD1 4.37Å; Y193-L204 HydrophobicContact CE1-CD1 3.92Å; Y193-L204 HydrophobicContact CE2-CD1 4.11Å; L200-L204 HydrophobicContact CD2-CD1 4.07Å; L200-L204 WeakPolarHBondContact O-CB 3.45Å; L200-L204 PolarHBondContact O-N 2.94Å
205	L	98.6	Very high	97.8	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	24%	0.242	C	C	.	.	I	π-helix	trans	-122	-67.1	-176.4	-168	169.4	0	0	0	111.6	Q96 Y99 L100 F201 K207 P208 M209 L211 Y264	Q96-L205 HydrophobicContact CB-CD1 3.45Å; Q96-L205 VanDerWaalsContact CB-CD1 3.45Å; Q96-L205 HydrophobicContact CG-CD1 3.64Å; Y99-L205 HydrophobicContact CD1-CB 4.15Å; Y99-L205 HydrophobicContact CD1-CD1 3.8Å; Y99-L205 HydrophobicContact CD1-CG 3.9Å; Y99-L205 HydrophobicContact CE1-CB 4.07Å; Y99-L205 HydrophobicContact CE1-CD1 4.49Å; Y99-L205 HydrophobicContact CE1-CG 4.11Å; L100-L205 HydrophobicContact CD2-CB 4.07Å; F201-L205 HydrophobicContact CD2-CD1 4.33Å; F201-L205 HydrophobicContact CE1-CD2 4.31Å; F201-L205 HydrophobicContact CE2-CD1 4.02Å; F201-L205 HydrophobicContact CZ-CD1 4.35Å; F201-L205 HydrophobicContact CZ-CD2 4.11Å; F201-L205 CarbonylContact O-C 3.57Å; F201-L205 WeakPolarHBondContact O-CA 3.44Å; F201-L205 VanDerWaalsContact O-CB 3.28Å; F201-L205 WeakPolarHBondContact O-CB 3.43Å; F201-L205 PolarHBondContact O-N 2.9Å; L205-K207 PolarHBondContact O-N 3.17Å; L205-P208 WeakPolarHBondContact O-CD 3.02Å; L205-M209 HydrophobicContact CD2-SD 4.07Å; L205-M209 HydrophobicContact CG-SD 4.05Å; L205-M209 WeakPolarHBondContact O-CB 3.39Å; L205-M209 PolarHBondContact O-N 2.85Å; L205-M209 VanDerWaalsContact O-N 3.08Å; L205-L211 HydrophobicContact CD2-CD1 3.34Å; L205-Y264 HydrophobicContact CD1-CE2 4.19Å; L205-Y264 HydrophobicContact CD2-CD2 4.34Å
206	R	98.1	Very high	97.8	Very high	46 Å²	46	47.9 Å²	47.9	17%	0.174	23%	0.231	C	C	.	.	I	π-helix	trans	-59.1	-50.1	-169.6	-167.5	168.1	60.9	136.7	-9	112.6	F201 D202 K210 L211 T214 E219	F201-R206 HydrophobicContact CD1-CB 4.08Å; F201-R206 HydrophobicContact CE1-CB 3.99Å; F201-R206 PolarHBondContact O-N 2.8Å; D202-R206 IonicContact OD1-CZ 3.12Å; D202-R206 IonicContact OD1-NE 3.45Å; D202-R206 PolarHBondContact OD1-NE 2.85Å; D202-R206 IonicContact OD1-NH2 2.85Å; D202-R206 PolarHBondContact OD1-NH2 2.82Å; D202-R206 IonicContact OD2-CZ 3.71Å; D202-R206 IonicContact OD2-NE 2.78Å; D202-R206 IonicContact OD2-NH2 2.72Å; D202-R206 PolarHBondContact OD2-NH2 2.74Å; R206-K210 PolarHBondContact O-N 3.3Å; R206-K210 VanDerWaalsContact O-N 3.13Å; R206-L211 HydrophobicContact CG-CB 4.17Å; R206-L211 WeakPolarHBondContact CG-O 3.46Å; R206-L211 PolarHBondContact O-N 2.86Å; R206-T214 WeakPolarHBondContact CD-O 3.15Å; R206-T214 HydrophobicContact CG-CG2 4.42Å; R206-T214 PolarHBondContact NH1-O 3.01Å; R206-T214 VanDerWaalsContact NH1-O 3.11Å; R206-E219 IonicContact NH1-OE2 3.61Å; R206-E219 IonicContact NH2-OE2 3.74Å
207	K	98	Very high	97.7	Very high	148 Å²	148	46.7 Å²	46.7	64%	0.643	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.8	-48.3	-179	-66.1	172.8	-178.3	173.2	0	112.8	D202 L205 M209 K210	D202-K207 WeakPolarHBondContact O-CB 3.43Å; D202-K207 WeakPolarHBondContact O-CG 3.48Å; D202-K207 PolarHBondContact O-N 2.96Å; L205-K207 PolarHBondContact O-N 3.17Å; K207-M209 PolarHBondContact O-N 2.71Å; K207-K210 PolarHBondContact O-N 3.07Å; K207-K210 VanDerWaalsContact O-N 3.15Å
208	P	97.3	Very high	97.5	Very high	52 Å²	52	50.2 Å²	50.2	34%	0.338	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-35.9	-179.4	-27.5	38.2	0	0	0	114.9	K203 L205 K210 F273	K203-P208 WeakPolarHBondContact O-CD 3.46Å; K203-P208 VanDerWaalsContact O-CG 3.28Å; K203-P208 WeakPolarHBondContact O-CG 3.36Å; L205-P208 WeakPolarHBondContact O-CD 3.02Å; P208-K210 VanDerWaalsContact C-N 3.32Å; P208-F273 HydrophobicContact CB-CE1 4.12Å
209	M	97.3	Very high	97.4	Very high	8 Å²	8	50.8 Å²	50.8	4%	0.039	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.3	-1	176.9	-66.4	175.8	172.3	0	0	112.9	Y99 L205 K207 L211 Y264 D267 L268 F273	Y99-M209 HydrophobicContact CD1-CE 4.42Å; Y99-M209 HydrophobicContact CD2-CE 4.21Å; Y99-M209 HydrophobicContact CE1-CE 3.91Å; Y99-M209 HydrophobicContact CE2-CE 3.71Å; L205-M209 HydrophobicContact CD2-SD 4.07Å; L205-M209 HydrophobicContact CG-SD 4.05Å; L205-M209 WeakPolarHBondContact O-CB 3.39Å; L205-M209 PolarHBondContact O-N 2.85Å; L205-M209 VanDerWaalsContact O-N 3.08Å; K207-M209 PolarHBondContact O-N 2.71Å; M209-L211 VanDerWaalsContact C-N 3.27Å; M209-L211 HydrophobicContact CB-CD1 4.22Å; M209-L211 HydrophobicContact CB-CD2 4.01Å; M209-L211 HydrophobicContact CB-CG 3.76Å; M209-L211 PolarHBondContact O-N 3.48Å; M209-Y264 HydrophobicContact SD-CD2 3.86Å; M209-Y264 HydrophobicContact SD-CE2 4.42Å; M209-D267 WeakPolarHBondContact CA-OD2 3.23Å; M209-D267 VanDerWaalsContact CB-OD2 3.29Å; M209-D267 WeakPolarHBondContact CB-OD2 3.45Å; M209-D267 HydrophobicContact CE-CB 4.2Å; M209-D267 HydrophobicContact CG-CB 4.16Å; M209-D267 WeakPolarHBondContact CG-OD2 3.34Å; M209-D267 HydrophobicContact SD-CB 4.28Å; M209-L268 HydrophobicContact CE-CD2 4.24Å; M209-F273 HydrophobicContact CB-CE1 4.43Å; M209-F273 HydrophobicContact CB-CZ 4.37Å; M209-F273 HydrophobicContact CE-CB 4.02Å; M209-F273 HydrophobicContact CE-CD1 3.68Å; M209-F273 HydrophobicContact CE-CD2 4.48Å; M209-F273 HydrophobicContact CE-CE1 4.22Å; M209-F273 HydrophobicContact CE-CG 3.82Å; M209-F273 HydrophobicContact CG-CD1 3.91Å; M209-F273 HydrophobicContact CG-CE1 3.44Å; M209-F273 VanDerWaalsContact CG-CE1 3.44Å; M209-F273 HydrophobicContact CG-CE2 4.35Å; M209-F273 HydrophobicContact CG-CZ 3.68Å
210	K	96.7	Very high	96.9	Very high	157 Å²	157	55.2 Å²	55.2	68%	0.683	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.3	38.8	179.4	-52.6	177.2	-178.8	176.5	0	113.4	R206 K207 P208 K212	R206-K210 PolarHBondContact O-N 3.3Å; R206-K210 VanDerWaalsContact O-N 3.13Å; K207-K210 PolarHBondContact O-N 3.07Å; K207-K210 VanDerWaalsContact O-N 3.15Å; P208-K210 VanDerWaalsContact C-N 3.32Å; K210-K212 PolarHBondContact O-N 3.2Å
211	L	96.8	Very high	96.7	Very high	3 Å²	3	57.1 Å²	57.1	2%	0.016	28%	0.282	C	S	.	.			trans	-78.4	85.7	178.6	-52.3	-177.5	0	0	0	109.6	L205 R206 M209 M256 D260	L205-L211 HydrophobicContact CD2-CD1 3.34Å; R206-L211 HydrophobicContact CG-CB 4.17Å; R206-L211 WeakPolarHBondContact CG-O 3.46Å; R206-L211 PolarHBondContact O-N 2.86Å; M209-L211 VanDerWaalsContact C-N 3.27Å; M209-L211 HydrophobicContact CB-CD1 4.22Å; M209-L211 HydrophobicContact CB-CD2 4.01Å; M209-L211 HydrophobicContact CB-CG 3.76Å; M209-L211 PolarHBondContact O-N 3.48Å; L211-M256 HydrophobicContact CD1-CE 3.93Å; L211-D260 WeakPolarHBondContact CA-OD1 3.37Å; L211-D260 WeakPolarHBondContact CA-OD2 3.36Å; L211-D260 HydrophobicContact CB-CB 4.42Å; L211-D260 VanDerWaalsContact CB-OD2 3.31Å; L211-D260 WeakPolarHBondContact CB-OD2 3.47Å; L211-D260 HydrophobicContact CD2-CB 4.4Å; L211-D260 WeakPolarHBondContact CD2-O 3.41Å
212	K	95.3	Very high	96.4	Very high	166 Å²	166	63.1 Å²	63.1	72%	0.722	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.7	-21.5	-170.5	-68.1	175.1	-175	174.5	0	113.2	K210 T214 D260	K210-K212 PolarHBondContact O-N 3.2Å; K212-T214 VanDerWaalsContact C-N 3.35Å; K212-D260 PolarHBondContact N-OD1 2.8Å; K212-D260 PolarHBondContact N-OD2 2.97Å; K212-D260 VanDerWaalsContact N-OD2 3.14Å
213	E	96.7	Very high	96.4	Very high	21 Å²	21	64.4 Å²	64.4	10%	0.098	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.3	40.4	-178.8	-62	178.6	173.7	0	0	110.8	H84 Q86 M256 S257 D260	H84-E213 IonicContact CE1-OE1 3.54Å; H84-E213 IonicContact CG-OE1 2.7Å; H84-E213 IonicContact ND1-OE1 3.83Å; H84-E213 PolarHBondContact ND1-OE1 2.91Å; H84-E213 IonicContact ND1-OE2 2.67Å; Q86-E213 VanDerWaalsContact CD-C 3.49Å; Q86-E213 HydrophobicContact CG-CB 4.5Å; Q86-E213 VanDerWaalsContact CG-O 3.32Å; Q86-E213 WeakPolarHBondContact CG-O 3.33Å; Q86-E213 VanDerWaalsContact NE2-CA 3.25Å; Q86-E213 PolarHBondContact NE2-O 2.82Å; Q86-E213 VanDerWaalsContact NE2-O 3.17Å; E213-M256 WeakPolarHBondContact O-CA 3.33Å; E213-S257 WeakPolarHBondContact CB-OG 3.41Å; E213-S257 PolarHBondContact O-N 3.33Å; E213-S257 VanDerWaalsContact O-N 3.11Å; E213-S257 WeakPolarHBondContact OE2-CB 3.36Å; E213-S257 PolarHBondContact OE2-OG 3.26Å; E213-D260 WeakPolarHBondContact CA-OD2 3.3Å; E213-D260 HydrophobicContact CB-CB 4.45Å; E213-D260 PolarHBondContact N-OD2 3.23Å
214	T	98.2	Very high	96.3	Very high	2 Å²	2	59.6 Å²	59.6	1%	0.012	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	130.4	178.9	-64.2	0	0	0	0	109.7	F201 R206 K212 V254 F255 M256 D260	F201-T214 HydrophobicContact CE1-CG2 3.78Å; F201-T214 HydrophobicContact CZ-CG2 4.04Å; R206-T214 WeakPolarHBondContact CD-O 3.15Å; R206-T214 HydrophobicContact CG-CG2 4.42Å; R206-T214 PolarHBondContact NH1-O 3.01Å; R206-T214 VanDerWaalsContact NH1-O 3.11Å; K212-T214 VanDerWaalsContact C-N 3.35Å; T214-V254 HydrophobicContact CG2-CG1 3.77Å; T214-F255 VanDerWaalsContact CA-O 3.3Å; T214-F255 WeakPolarHBondContact CA-O 3.49Å; T214-M256 HydrophobicContact CG2-CG 3.89Å; T214-M256 HydrophobicContact CG2-SD 4.5Å; T214-M256 WeakPolarHBondContact OG1-CE 3.38Å; T214-D260 WeakPolarHBondContact CB-OD2 3.27Å; T214-D260 PolarHBondContact N-OD2 3.18Å; T214-D260 PolarHBondContact OG1-OD2 3.18Å
215	S	98.2	Very high	96.3	Very high	2 Å²	2	58.3 Å²	58.3	1%	0.014	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	153.8	175.9	62.4	0	0	0	0	112.3	Q86 E219 N221 Q224 F255	Q86-S215 PolarHBondContact OE1-OG 2.87Å; S215-E219 VanDerWaalsContact CA-OE1 3.26Å; S215-E219 WeakPolarHBondContact CA-OE1 3.39Å; S215-N221 PolarHBondContact OG-ND2 3.24Å; S215-N221 VanDerWaalsContact OG-ND2 3.16Å; S215-Q224 PolarHBondContact OG-NE2 2.63Å; S215-F255 PolarHBondContact N-O 3.48Å; S215-F255 PolarHBondContact O-N 2.95Å
216	F	98.1	Very high	96.1	Very high	11 Å²	11	60.7 Å²	60.7	5%	0.048	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	154.3	164.2	-77.1	-84.8	0	0	0	110.8	Y197 F201 S218 E219 Q224 N253 V254	Y197-F216 HydrophobicContact CD1-CE1 4.06Å; Y197-F216 AromaticContact CD1-CZ 3.93Å; Y197-F216 HydrophobicContact CD1-CZ 3.93Å; Y197-F216 AromaticContact CE1-CE1 3.85Å; Y197-F216 HydrophobicContact CE1-CE1 3.85Å; Y197-F216 AromaticContact CE1-CZ 3.74Å; Y197-F216 HydrophobicContact CE1-CZ 3.74Å; F201-F216 HydrophobicContact CB-CE2 3.95Å; F201-F216 HydrophobicContact CB-CZ 3.81Å; F201-F216 AromaticContact CD1-CE2 3.91Å; F201-F216 HydrophobicContact CD1-CE2 3.91Å; F201-F216 HydrophobicContact CD1-CZ 4.19Å; F201-F216 HydrophobicContact CD2-CZ 4.15Å; F201-F216 AromaticContact CG-CE2 3.94Å; F201-F216 HydrophobicContact CG-CE2 3.94Å; F201-F216 AromaticContact CG-CZ 3.8Å; F201-F216 HydrophobicContact CG-CZ 3.8Å; F216-S218 PolarHBondContact O-N 2.98Å; F216-E219 HydrophobicContact CB-CG 4.44Å; F216-E219 PolarHBondContact N-OE1 3.04Å; F216-E219 PolarHBondContact O-N 3.06Å; F216-Q224 PolarHBondContact O-NE2 2.82Å; F216-N253 WeakPolarHBondContact CD1-OD1 3.38Å; F216-N253 WeakPolarHBondContact CE1-OD1 3.34Å; F216-V254 HydrophobicContact CD1-CG2 3.79Å; F216-V254 HydrophobicContact CE1-CG2 3.56Å; F216-V254 HydrophobicContact CG-CG2 4.41Å; F216-V254 HydrophobicContact CZ-CG2 4Å
217	Y	95.8	Very high	96	Very high	34 Å²	34	58.7 Å²	58.7	13%	0.133	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-50.5	-26.2	174.7	75.1	-82	0	0	0	114.7	V242 Y245 A246 N253	Y217-V242 HydrophobicContact CD2-CG1 3.79Å; Y217-V242 HydrophobicContact CE2-CG1 3.57Å; Y217-Y245 VanDerWaalsContact CG-CB 3.48Å; Y217-Y245 HydrophobicContact CG-CG 4.34Å; Y217-A246 HydrophobicContact CE1-CB 4.41Å; Y217-A246 HydrophobicContact CE2-CB 3.92Å; Y217-A246 WeakPolarHBondContact OH-CB 3.42Å; Y217-N253 HydrophobicContact CD1-CB 3.58Å; Y217-N253 HydrophobicContact CE1-CB 4.07Å; Y217-N253 HydrophobicContact CG-CB 4.44Å; Y217-N253 PolarHBondContact N-O 3.16Å
218	S	94.7	Very high	96	Very high	79 Å²	79	51.8 Å²	51.8	55%	0.552	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.5	-15	-177.1	53.3	0	0	0	0	113.5	F216	F216-S218 PolarHBondContact O-N 2.98Å
219	E	95.3	Very high	95.8	Very high	65 Å²	65	50.6 Å²	50.6	30%	0.304	26%	0.261	S	S	.	.	S	Bend	trans	-75.5	135.1	179.1	-68.7	178.7	-103.5	0	0	110.3	R206 S215 F216 N221	R206-E219 IonicContact NH1-OE2 3.61Å; R206-E219 IonicContact NH2-OE2 3.74Å; S215-E219 VanDerWaalsContact CA-OE1 3.26Å; S215-E219 WeakPolarHBondContact CA-OE1 3.39Å; F216-E219 HydrophobicContact CB-CG 4.44Å; F216-E219 PolarHBondContact N-OE1 3.04Å; F216-E219 PolarHBondContact O-N 3.06Å; E219-N221 PolarHBondContact O-N 2.92Å
220	T	89.1	Confident	95.4	Very high	155 Å²	155	52.8 Å²	52.8	95%	0.951	27%	0.271	S	S	*	.			trans	-71.7	104	173.2	-60.7	0	0	0	0	109.2
221	N	92.3	Very high	94.9	Very high	43 Å²	43	47.4 Å²	47.4	23%	0.23	25%	0.254	C	S	.	.			trans	-141.8	115.8	-175.8	-175.9	-7.7	0	0	0	111.7	Q86 S215 E219 Q223 Q224	Q86-N221 PolarHBondContact NE2-ND2 2.99Å; Q86-N221 PolarHBondContact OE1-ND2 2.98Å; S215-N221 PolarHBondContact OG-ND2 3.24Å; S215-N221 VanDerWaalsContact OG-ND2 3.16Å; E219-N221 PolarHBondContact O-N 2.92Å; N221-Q223 PolarHBondContact O-N 2.7Å; N221-Q223 WeakPolarHBondContact OD1-CB 3.18Å; N221-Q223 PolarHBondContact OD1-N 3.46Å; N221-Q224 HydrophobicContact CB-CG 4.15Å; N221-Q224 PolarHBondContact O-N 3.01Å
222	N	93.9	Very high	94.3	Very high	128 Å²	128	53.9 Å²	53.9	68%	0.684	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72	-5.5	-179	69.5	-5	0	0	0	113.9	K73	K73-N222 PolarHBondContact NZ-O 2.78Å
223	Q	96.6	Very high	93.8	Very high	58 Å²	58	51.3 Å²	51.3	27%	0.271	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.2	-13	174	-58.3	-57.3	-2.9	0	0	113.8	K73 Q86 N221 A225	K73-Q223 VanDerWaalsContact NZ-OE1 3.16Å; Q86-Q223 HydrophobicContact CG-CB 4.03Å; Q86-Q223 PolarHBondContact N-O 3.02Å; N221-Q223 PolarHBondContact O-N 2.7Å; N221-Q223 WeakPolarHBondContact OD1-CB 3.18Å; N221-Q223 PolarHBondContact OD1-N 3.46Å; Q223-A225 PolarHBondContact O-N 3.32Å
224	Q	97.3	Very high	93.2	Very high	40 Å²	40	51.6 Å²	51.6	19%	0.187	31%	0.311	C	S	.	.	B	Isolated β-bridge	trans	-63.6	125	171.4	-68.5	-179.1	-3.4	0	0	109.9	S215 F216 N221 F255	S215-Q224 PolarHBondContact OG-NE2 2.63Å; F216-Q224 PolarHBondContact O-NE2 2.82Å; N221-Q224 HydrophobicContact CB-CG 4.15Å; N221-Q224 PolarHBondContact O-N 3.01Å; Q224-F255 HydrophobicContact CB-CD1 3.94Å; Q224-F255 HydrophobicContact CB-CE1 4.11Å; Q224-F255 HydrophobicContact CG-CB 4.09Å; Q224-F255 HydrophobicContact CG-CD1 3.69Å; Q224-F255 HydrophobicContact CG-CE1 4.22Å; Q224-F255 HydrophobicContact CG-CG 3.88Å
225	A	97.3	Very high	92.8	Very high	6 Å²	6	53.6 Å²	53.6	5%	0.05	32%	0.324	C	S	.	.	P	Polyproline II helix	trans	-69.4	152.8	174.4	0	0	0	0	0	111.8	K73 T85 Q86 Y87 Q223 F311 N330	K73-A225 HydrophobicContact CG-CB 4.03Å; T85-A225 HydrophobicContact CG2-CB 3.64Å; Q86-A225 PolarHBondContact O-N 3.14Å; Y87-A225 HydrophobicContact CD1-CB 4.21Å; Y87-A225 HydrophobicContact CE1-CB 4.16Å; Q223-A225 PolarHBondContact O-N 3.32Å; A225-F311 HydrophobicContact CB-CE1 3.92Å; A225-F311 HydrophobicContact CB-CZ 4.45Å; A225-F311 VanDerWaalsContact O-CZ 3.3Å; A225-F311 WeakPolarHBondContact O-CZ 3.04Å; A225-N330 HydrophobicContact CB-CB 4.01Å
226	L	96.3	Very high	92.5	Very high	51 Å²	51	57 Å²	57	27%	0.267	34%	0.344	S	S	.	.	P	Polyproline II helix	trans	-82.4	151.2	166.4	-59.9	-174.2	0	0	0	110.2	K73 D74 Y228 Y237 N330	K73-L226 WeakPolarHBondContact O-CB 3.47Å; K73-L226 PolarHBondContact O-N 3.01Å; D74-L226 HydrophobicContact CB-CD1 3.89Å; D74-L226 HydrophobicContact CB-CG 4.37Å; L226-Y228 HydrophobicContact CB-CE2 3.93Å; L226-Y228 VanDerWaalsContact O-CD2 3.24Å; L226-Y228 WeakPolarHBondContact O-CD2 3.45Å; L226-Y228 WeakPolarHBondContact O-CE2 3.3Å; L226-Y237 HydrophobicContact CB-CD2 4.31Å; L226-Y237 HydrophobicContact CB-CE2 3.99Å; L226-Y237 HydrophobicContact CD1-CD2 4.37Å; L226-Y237 HydrophobicContact CD1-CE2 3.85Å; L226-Y237 HydrophobicContact CG-CE2 4.35Å; L226-N330 WeakPolarHBondContact O-CB 3.31Å; L226-N330 PolarHBondContact O-ND2 2.74Å
227	S	96	Very high	92.4	Very high	4 Å²	4	62.5 Å²	62.5	3%	0.028	37%	0.366	C	S	.	.	P	Polyproline II helix	trans	-87.7	142.5	178	47.5	0	0	0	0	112.9	A238 A309	S227-A238 WeakPolarHBondContact CB-O 3.4Å; S227-A238 CarbonylContact O-C 3.59Å; S227-A238 PolarHBondContact O-N 3.15Å; S227-A238 PolarHBondContact OG-O 3.3Å; S227-A309 WeakPolarHBondContact CB-O 3.2Å
228	Y	96.3	Very high	92.3	Very high	3 Å²	3	61.5 Å²	61.5	1%	0.012	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	149.7	178.2	-60.6	-97.3	0	0	0	110.9	D74 Q75 L226 P235 V236 Y237 R310 N330 V331 W332	D74-Y228 WeakPolarHBondContact CA-OH 3.23Å; Q75-Y228 HydrophobicContact CB-CE1 3.86Å; Q75-Y228 PolarHBondContact N-OH 3.08Å; L226-Y228 HydrophobicContact CB-CE2 3.93Å; L226-Y228 VanDerWaalsContact O-CD2 3.24Å; L226-Y228 WeakPolarHBondContact O-CD2 3.45Å; L226-Y228 WeakPolarHBondContact O-CE2 3.3Å; Y228-P235 HydrophobicContact CD1-CB 4.1Å; Y228-P235 HydrophobicContact CG-CB 4.14Å; Y228-V236 CarbonylContact C-O 3.47Å; Y228-V236 WeakPolarHBondContact CA-O 3.12Å; Y228-V236 WeakPolarHBondContact CB-O 2.97Å; Y228-Y237 VanDerWaalsContact CD1-CA 3.46Å; Y228-Y237 HydrophobicContact CE1-CD2 4.3Å; Y228-R310 WeakPolarHBondContact O-CB 3.46Å; Y228-N330 WeakPolarHBondContact CD2-ND2 3.23Å; Y228-N330 WeakPolarHBondContact CE2-ND2 3.44Å; Y228-N330 PolarHBondContact N-O 3.34Å; Y228-V331 WeakPolarHBondContact O-CA 3.18Å; Y228-W332 PolarHBondContact O-N 2.94Å
229	S	94.2	Very high	92.2	Very high	26 Å²	26	61.6 Å²	61.6	18%	0.182	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	144.5	166.3	-87.1	0	0	0	0	110.3	P235 V236 R310 T333	S229-P235 WeakPolarHBondContact O-CA 3.23Å; S229-V236 PolarHBondContact N-O 2.92Å; S229-V236 PolarHBondContact O-N 2.89Å; S229-R310 VanDerWaalsContact OG-CD 3.3Å; S229-R310 WeakPolarHBondContact OG-CD 3.38Å; S229-R310 PolarHBondContact OG-NE 2.9Å; S229-T333 WeakPolarHBondContact CA-OG1 3.23Å; S229-T333 WeakPolarHBondContact CB-OG1 3.32Å; S229-T333 PolarHBondContact OG-OG1 3.02Å
230	E	88.1	Confident	92	Very high	54 Å²	54	60.1 Å²	60.1	25%	0.252	36%	0.358	S	S	.	.			trans	-64.4	137.3	167	-70.1	-172	-164.3	0	0	110.6	V331 T333 K336	E230-V331 HydrophobicContact CB-CG1 4.38Å; E230-V331 HydrophobicContact CG-CG1 3.63Å; E230-T333 PolarHBondContact N-OG1 3.08Å; E230-K336 WeakPolarHBondContact OE2-CB 3.48Å; E230-K336 WeakPolarHBondContact OE2-CD 3.37Å
231	S	87	Confident	92.2	Very high	45 Å²	45	56.6 Å²	56.6	32%	0.315	34%	0.337	S	S	.	.			trans	-139.7	165.7	167.4	93.7	0	0	0	0	110.7	S233 G234	S231-S233 PolarHBondContact O-N 3Å; S231-S233 PolarHBondContact OG-N 3.38Å; S231-S233 PolarHBondContact OG-OG 2.56Å; S231-S233 VanDerWaalsContact OG-OG 3.08Å; S231-G234 VanDerWaalsContact CB-O 3.32Å; S231-G234 WeakPolarHBondContact CB-O 3.17Å; S231-G234 PolarHBondContact N-O 3.49Å; S231-G234 PolarHBondContact O-N 3.34Å; S231-G234 VanDerWaalsContact O-N 3.1Å; S231-G234 PolarHBondContact OG-N 3.02Å; S231-G234 PolarHBondContact OG-O 2.83Å
232	S	84.2	Confident	92.4	Very high	139 Å²	139	58.5 Å²	58.5	97%	0.972	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-25.1	177.2	50.1	0	0	0	0	113.6
233	S	84.3	Confident	92.4	Very high	112 Å²	112	53.2 Å²	53.2	78%	0.783	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.7	6.9	176	54	0	0	0	0	113.5	S231	S231-S233 PolarHBondContact O-N 3Å; S231-S233 PolarHBondContact OG-N 3.38Å; S231-S233 PolarHBondContact OG-OG 2.56Å; S231-S233 VanDerWaalsContact OG-OG 3.08Å
234	G	84.2	Confident	92.4	Very high	27 Å²	27	52.1 Å²	52.1	28%	0.278	32%	0.321	S	S	.	.	S	Bend	trans	108.9	-177	-177.4	0	0	0	0	0	113.5	S231	S231-G234 VanDerWaalsContact CB-O 3.32Å; S231-G234 WeakPolarHBondContact CB-O 3.17Å; S231-G234 PolarHBondContact N-O 3.49Å; S231-G234 PolarHBondContact O-N 3.34Å; S231-G234 VanDerWaalsContact O-N 3.1Å; S231-G234 PolarHBondContact OG-N 3.02Å; S231-G234 PolarHBondContact OG-O 2.83Å
235	P	89.1	Confident	92.4	Very high	44 Å²	44	51.2 Å²	51.2	29%	0.286	32%	0.317	S	S	.	.			trans	-59.6	136.2	-179.1	-23.8	34.6	0	0	0	112.6	Q75 Y228 S229 V331	Q75-P235 PolarHBondContact OE1-O 3.21Å; Y228-P235 HydrophobicContact CD1-CB 4.1Å; Y228-P235 HydrophobicContact CG-CB 4.14Å; S229-P235 WeakPolarHBondContact O-CA 3.23Å; P235-V331 HydrophobicContact CB-CG1 4.11Å; P235-V331 HydrophobicContact CB-CG2 4Å; P235-V331 HydrophobicContact CG-CG1 4.23Å; P235-V331 HydrophobicContact CG-CG2 3.97Å
236	V	93.6	Very high	92.4	Very high	73 Å²	73	51 Å²	51	44%	0.442	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	127.5	177	178	0	0	0	0	109.1	Y228 S229 A238	Y228-V236 CarbonylContact C-O 3.47Å; Y228-V236 WeakPolarHBondContact CA-O 3.12Å; Y228-V236 WeakPolarHBondContact CB-O 2.97Å; S229-V236 PolarHBondContact N-O 2.92Å; S229-V236 PolarHBondContact O-N 2.89Å; V236-A238 PolarHBondContact O-N 3.43Å
237	Y	95.3	Very high	92.3	Very high	127 Å²	127	50 Å²	50	50%	0.498	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.1	127.1	179.3	175.7	-122.4	0	0	0	110.7	L226 Y228 P239	L226-Y237 HydrophobicContact CB-CD2 4.31Å; L226-Y237 HydrophobicContact CB-CE2 3.99Å; L226-Y237 HydrophobicContact CD1-CD2 4.37Å; L226-Y237 HydrophobicContact CD1-CE2 3.85Å; L226-Y237 HydrophobicContact CG-CE2 4.35Å; Y228-Y237 VanDerWaalsContact CD1-CA 3.46Å; Y228-Y237 HydrophobicContact CE1-CD2 4.3Å; Y237-P239 HydrophobicContact CE1-CB 4.17Å; Y237-P239 HydrophobicContact CE1-CG 3.92Å; Y237-P239 HydrophobicContact CE2-CB 4.29Å
238	A	93.7	Very high	92.4	Very high	12 Å²	12	50.9 Å²	50.9	10%	0.099	31%	0.313	C	S	.	.			trans	-141.4	81.9	-172.7	0	0	0	0	0	109.3	S227 V236 R310	S227-A238 WeakPolarHBondContact CB-O 3.4Å; S227-A238 CarbonylContact O-C 3.59Å; S227-A238 PolarHBondContact O-N 3.15Å; S227-A238 PolarHBondContact OG-O 3.3Å; V236-A238 PolarHBondContact O-N 3.43Å; A238-R310 VanDerWaalsContact CB-NE 3.3Å
239	P	92.2	Very high	92.5	Very high	82 Å²	82	51 Å²	51	53%	0.532	31%	0.314	S	S	.	.			trans	-62.4	152.1	-174.7	23.8	-31.8	0	0	0	112.2	Y237	Y237-P239 HydrophobicContact CE1-CB 4.17Å; Y237-P239 HydrophobicContact CE1-CG 3.92Å; Y237-P239 HydrophobicContact CE2-CB 4.29Å
240	T	91.5	Very high	92.7	Very high	33 Å²	33	49.8 Å²	49.8	20%	0.202	31%	0.306	C	S	.	.			trans	-119.3	144.5	172.9	-59.1	0	0	0	0	109.4	Y245 A309	T240-Y245 HydrophobicContact CG2-CD2 4.38Å; T240-Y245 HydrophobicContact CG2-CE2 3.98Å; T240-A309 HydrophobicContact CG2-CB 3.62Å; T240-A309 WeakPolarHBondContact OG1-CB 3.34Å
241	T	93.8	Very high	93.2	Very high	82 Å²	82	47.3 Å²	47.3	50%	0.503	29%	0.294	S	S	.	.			trans	-73.4	150.3	179.4	62.6	0	0	0	0	111.1	S243 S244 Y245	T241-S243 VanDerWaalsContact C-N 3.25Å; T241-S243 PolarHBondContact O-N 3.19Å; T241-S243 PolarHBondContact OG1-OG 2.88Å; T241-S243 VanDerWaalsContact OG1-OG 3.08Å; T241-S244 WeakPolarHBondContact O-CB 3.28Å; T241-S244 PolarHBondContact O-N 2.89Å; T241-S244 VanDerWaalsContact OG1-CB 3.3Å; T241-S244 WeakPolarHBondContact OG1-CB 3.42Å; T241-S244 PolarHBondContact OG1-N 2.88Å; T241-Y245 WeakPolarHBondContact O-CD2 3.5Å; T241-Y245 PolarHBondContact O-N 2.99Å
242	V	94.8	Very high	93.7	Very high	83 Å²	83	45.1 Å²	45.1	50%	0.503	28%	0.279	S	S	.	.	H	α-helix	trans	-59.5	-38.7	175.5	-179.4	0	0	0	0	111.1	T154 Y217 S244 Y245 A246	T154-V242 HydrophobicContact CG2-CB 4.31Å; T154-V242 HydrophobicContact CG2-CG1 3.67Å; Y217-V242 HydrophobicContact CD2-CG1 3.79Å; Y217-V242 HydrophobicContact CE2-CG1 3.57Å; V242-S244 VanDerWaalsContact C-N 3.28Å; V242-S244 PolarHBondContact O-N 2.87Å; V242-Y245 PolarHBondContact O-N 2.85Å; V242-Y245 VanDerWaalsContact O-N 3.09Å; V242-A246 PolarHBondContact O-N 2.95Å
243	S	95.7	Very high	94.3	Very high	17 Å²	17	38.8 Å²	38.8	12%	0.119	23%	0.234	C	C	.	.	H	α-helix	trans	-61.2	-34.7	174.8	51.7	0	0	0	0	113.1	N152 T241 Y245 A246 D247	N152-S243 VanDerWaalsContact OD1-CB 3.31Å; N152-S243 WeakPolarHBondContact OD1-CB 3.42Å; N152-S243 PolarHBondContact OD1-OG 2.81Å; T241-S243 VanDerWaalsContact C-N 3.25Å; T241-S243 PolarHBondContact O-N 3.19Å; T241-S243 PolarHBondContact OG1-OG 2.88Å; T241-S243 VanDerWaalsContact OG1-OG 3.08Å; S243-Y245 VanDerWaalsContact C-N 3.27Å; S243-Y245 PolarHBondContact O-N 2.9Å; S243-A246 PolarHBondContact O-N 2.83Å; S243-D247 PolarHBondContact O-N 3.36Å; S243-D247 VanDerWaalsContact O-N 3.12Å
244	S	95.5	Very high	95	Very high	34 Å²	34	33.5 Å²	33.5	24%	0.238	20%	0.197	C	C	.	.	H	α-helix	trans	-70.5	-21.9	176	177.2	0	0	0	0	112.6	T241 V242 K308	T241-S244 WeakPolarHBondContact O-CB 3.28Å; T241-S244 PolarHBondContact O-N 2.89Å; T241-S244 VanDerWaalsContact OG1-CB 3.3Å; T241-S244 WeakPolarHBondContact OG1-CB 3.42Å; T241-S244 PolarHBondContact OG1-N 2.88Å; V242-S244 VanDerWaalsContact C-N 3.28Å; V242-S244 PolarHBondContact O-N 2.87Å; S244-K308 WeakPolarHBondContact O-CE 3.4Å; S244-K308 PolarHBondContact O-NZ 2.85Å
245	Y	96.7	Very high	95.7	Very high	22 Å²	22	32.4 Å²	32.4	9%	0.086	19%	0.185	C	C	.	.	H	α-helix	trans	-82.3	-38.2	166.5	-68.3	-73.6	0	0	0	111.2	C88 Y217 T240 T241 V242 S243 D247 E248 N253 F255 K308 A309 F311	C88-Y245 HydrophobicContact CB-CE1 3.94Å; Y217-Y245 VanDerWaalsContact CG-CB 3.48Å; Y217-Y245 HydrophobicContact CG-CG 4.34Å; T240-Y245 HydrophobicContact CG2-CD2 4.38Å; T240-Y245 HydrophobicContact CG2-CE2 3.98Å; T241-Y245 WeakPolarHBondContact O-CD2 3.5Å; T241-Y245 PolarHBondContact O-N 2.99Å; V242-Y245 PolarHBondContact O-N 2.85Å; V242-Y245 VanDerWaalsContact O-N 3.09Å; S243-Y245 VanDerWaalsContact C-N 3.27Å; S243-Y245 PolarHBondContact O-N 2.9Å; Y245-D247 VanDerWaalsContact C-N 3.29Å; Y245-D247 PolarHBondContact O-N 3.11Å; Y245-E248 PolarHBondContact O-N 3.18Å; Y245-E248 VanDerWaalsContact O-N 3.14Å; Y245-N253 WeakPolarHBondContact O-CB 3.39Å; Y245-F255 HydrophobicContact CD1-CE2 4.13Å; Y245-F255 HydrophobicContact CD1-CZ 4.38Å; Y245-F255 AromaticContact CE1-CE2 3.93Å; Y245-F255 HydrophobicContact CE1-CE2 3.93Å; Y245-F255 AromaticContact CE1-CZ 3.73Å; Y245-F255 HydrophobicContact CE1-CZ 3.73Å; Y245-F255 HydrophobicContact CE2-CZ 4.47Å; Y245-F255 AromaticContact CZ-CZ 3.78Å; Y245-K308 HydrophobicContact CD1-CG 4.43Å; Y245-A309 HydrophobicContact CD1-CB 4.26Å; Y245-A309 HydrophobicContact CE1-CB 3.33Å; Y245-A309 HydrophobicContact CE2-CB 4.41Å; Y245-A309 VanDerWaalsContact CZ-CB 3.43Å; Y245-A309 VanDerWaalsContact OH-CB 3.29Å; Y245-A309 WeakPolarHBondContact OH-CB 3.35Å; Y245-F311 VanDerWaalsContact OH-CE2 3.28Å; Y245-F311 WeakPolarHBondContact OH-CE2 3.13Å
246	A	97.2	Very high	96.1	Very high	2 Å²	2	30.3 Å²	30.3	2%	0.017	17%	0.171	C	C	.	.	H	α-helix	trans	-59	-39.2	-176.2	0	0	0	0	0	113.2	T153 T154 I159 Y217 V242 S243 E248 L249	T153-A246 WeakPolarHBondContact O-CB 3.36Å; T154-A246 HydrophobicContact CG2-CB 4.23Å; I159-A246 HydrophobicContact CD1-CB 4Å; I159-A246 VanDerWaalsContact CD1-O 3.3Å; I159-A246 WeakPolarHBondContact CD1-O 3.29Å; Y217-A246 HydrophobicContact CE1-CB 4.41Å; Y217-A246 HydrophobicContact CE2-CB 3.92Å; Y217-A246 WeakPolarHBondContact OH-CB 3.42Å; V242-A246 PolarHBondContact O-N 2.95Å; S243-A246 PolarHBondContact O-N 2.83Å; A246-E248 PolarHBondContact O-N 3.08Å; A246-L249 PolarHBondContact O-N 2.97Å
247	D	95.5	Very high	96.3	Very high	29 Å²	29	26.8 Å²	26.8	16%	0.155	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-12.3	179	67.4	15.8	0	0	0	114.6	I148 S243 Y245 L249 K308	I148-D247 HydrophobicContact CG2-CB 4.22Å; S243-D247 PolarHBondContact O-N 3.36Å; S243-D247 VanDerWaalsContact O-N 3.12Å; Y245-D247 VanDerWaalsContact C-N 3.29Å; Y245-D247 PolarHBondContact O-N 3.11Å; D247-L249 VanDerWaalsContact C-N 3.34Å; D247-L249 PolarHBondContact O-N 3.47Å; D247-K308 IonicContact OD1-NZ 2.87Å; D247-K308 PolarHBondContact OD1-NZ 2.96Å
248	E	97.3	Very high	96.4	Very high	22 Å²	22	20.8 Å²	20.8	10%	0.103	13%	0.127	C	C	.	.			trans	-92.8	42.4	175.6	-62.8	-71.1	169.8	0	0	113.8	Y245 A246 G250 T251 G252 N253 K308	Y245-E248 PolarHBondContact O-N 3.18Å; Y245-E248 VanDerWaalsContact O-N 3.14Å; A246-E248 PolarHBondContact O-N 3.08Å; E248-G250 PolarHBondContact O-N 2.67Å; E248-G250 VanDerWaalsContact O-N 3.1Å; E248-T251 WeakPolarHBondContact CA-OG1 3.34Å; E248-T251 VanDerWaalsContact CB-OG1 3.23Å; E248-T251 WeakPolarHBondContact CB-OG1 3.4Å; E248-T251 PolarHBondContact O-N 3.01Å; E248-T251 PolarHBondContact O-OG1 3.13Å; E248-T251 VanDerWaalsContact O-OG1 3.04Å; E248-T251 VanDerWaalsContact OE2-CB 3.3Å; E248-T251 WeakPolarHBondContact OE2-CB 3.32Å; E248-T251 PolarHBondContact OE2-OG1 3.22Å; E248-G252 PolarHBondContact O-N 2.78Å; E248-N253 HydrophobicContact CB-CB 4.06Å; E248-N253 PolarHBondContact O-ND2 2.72Å; E248-K308 HydrophobicContact CG-CD 3.78Å; E248-K308 HydrophobicContact CG-CG 4.32Å; E248-K308 WeakPolarHBondContact OE1-CE 3.44Å; E248-K308 IonicContact OE1-NZ 3.69Å; E248-K308 PolarHBondContact OE1-NZ 3.13Å
249	L	98.1	Very high	96.6	Very high	7 Å²	7	20.8 Å²	20.8	4%	0.037	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.9	115.1	177.3	175.9	61.3	0	0	0	111.1	P156 I159 L160 V183 A186 Y197 A246 D247 T251	P156-L249 HydrophobicContact CB-CD1 4.13Å; P156-L249 HydrophobicContact CB-CD2 4.15Å; I159-L249 HydrophobicContact CG2-CB 4.29Å; L160-L249 HydrophobicContact CB-CD2 4.16Å; V183-L249 HydrophobicContact CG1-CB 4.48Å; V183-L249 HydrophobicContact CG1-CD2 4.34Å; A186-L249 HydrophobicContact CB-CG 4.15Å; Y197-L249 HydrophobicContact CD1-CD1 4.38Å; Y197-L249 HydrophobicContact CG-CD1 4.39Å; A246-L249 PolarHBondContact O-N 2.97Å; D247-L249 VanDerWaalsContact C-N 3.34Å; D247-L249 PolarHBondContact O-N 3.47Å; L249-T251 PolarHBondContact O-N 3.34Å
250	G	98.5	Very high	96.8	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.1	5.8	-178.9	0	0	0	0	0	114.5	T97 E248	T97-G250 PolarHBondContact OG1-O 3.26Å; E248-G250 PolarHBondContact O-N 2.67Å; E248-G250 VanDerWaalsContact O-N 3.1Å
251	T	98.4	Very high	97.1	Very high	1 Å²	1	15.9 Å²	15.9	1%	0.006	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	-120.9	-28.5	-172	55.7	0	0	0	0	114.2	S91 K94 P179 V183 E248 L249	S91-T251 WeakPolarHBondContact CA-O 3.47Å; K94-T251 PolarHBondContact NZ-O 3.19Å; P179-T251 HydrophobicContact CB-CG2 4.07Å; P179-T251 WeakPolarHBondContact O-CG2 3.5Å; V183-T251 HydrophobicContact CG2-CG2 3.86Å; E248-T251 WeakPolarHBondContact CA-OG1 3.34Å; E248-T251 VanDerWaalsContact CB-OG1 3.23Å; E248-T251 WeakPolarHBondContact CB-OG1 3.4Å; E248-T251 PolarHBondContact O-N 3.01Å; E248-T251 PolarHBondContact O-OG1 3.13Å; E248-T251 VanDerWaalsContact O-OG1 3.04Å; E248-T251 VanDerWaalsContact OE2-CB 3.3Å; E248-T251 WeakPolarHBondContact OE2-CB 3.32Å; E248-T251 PolarHBondContact OE2-OG1 3.22Å; L249-T251 PolarHBondContact O-N 3.34Å
252	G	98.1	Very high	97.3	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	7%	0.069	C	C	.	.	T	Hydrogen-bonded Turn	trans	171.6	36.4	-173.9	0	0	0	0	0	118.4	C88 G90 Q93 E248	C88-G252 PolarHBondContact SG-O 2.93Å; C88-G252 VanDerWaalsContact SG-O 3.34Å; G90-G252 VanDerWaalsContact C-CA 3.41Å; G90-G252 WeakPolarHBondContact O-CA 3.34Å; Q93-G252 VanDerWaalsContact OE1-C 3.22Å; Q93-G252 VanDerWaalsContact OE1-N 3.13Å; E248-G252 PolarHBondContact O-N 2.78Å
253	N	97.5	Very high	97.4	Very high	6 Å²	6	10 Å²	10	3%	0.032	6%	0.058	C	C	.	.			trans	-108.7	10.2	177.3	71	0.5	0	0	0	115.2	Q93 F216 Y217 Y245 E248	Q93-N253 PolarHBondContact NE2-OD1 2.9Å; Q93-N253 PolarHBondContact OE1-OD1 3.1Å; F216-N253 WeakPolarHBondContact CD1-OD1 3.38Å; F216-N253 WeakPolarHBondContact CE1-OD1 3.34Å; Y217-N253 HydrophobicContact CD1-CB 3.58Å; Y217-N253 HydrophobicContact CE1-CB 4.07Å; Y217-N253 HydrophobicContact CG-CB 4.44Å; Y217-N253 PolarHBondContact N-O 3.16Å; Y245-N253 WeakPolarHBondContact O-CB 3.39Å; E248-N253 HydrophobicContact CB-CB 4.06Å; E248-N253 PolarHBondContact O-ND2 2.72Å
254	V	98.5	Very high	97.5	Very high	0 Å²	0	9.3 Å²	9.3	0%	0	5%	0.053	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	141.9	174.5	173	0	0	0	0	110.9	I89 Q93 F201 T214 F216 M256	I89-V254 HydrophobicContact CG1-CB 4.48Å; I89-V254 WeakPolarHBondContact CG1-O 3.48Å; I89-V254 PolarHBondContact N-O 3.15Å; Q93-V254 VanDerWaalsContact CD-CG2 3.49Å; Q93-V254 HydrophobicContact CG-CB 4.45Å; Q93-V254 HydrophobicContact CG-CG2 4.24Å; F201-V254 HydrophobicContact CE2-CG2 4.08Å; F201-V254 HydrophobicContact CZ-CG1 4.1Å; F201-V254 HydrophobicContact CZ-CG2 4.16Å; T214-V254 HydrophobicContact CG2-CG1 3.77Å; F216-V254 HydrophobicContact CD1-CG2 3.79Å; F216-V254 HydrophobicContact CE1-CG2 3.56Å; F216-V254 HydrophobicContact CG-CG2 4.41Å; F216-V254 HydrophobicContact CZ-CG2 4Å; V254-M256 HydrophobicContact CG1-CG 3.84Å; V254-M256 HydrophobicContact CG1-SD 4.41Å
255	F	98.6	Very high	97.5	Very high	4 Å²	4	8 Å²	8	2%	0.018	4%	0.043	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	134.2	171	-75.3	-113	0	0	0	109.6	Q86 Y87 C88 T214 S215 Q224 Y245 F311	Q86-F255 HydrophobicContact CB-CB 3.96Å; Y87-F255 VanDerWaalsContact C-CD1 3.45Å; Y87-F255 CarbonylContact O-C 3.51Å; Y87-F255 WeakPolarHBondContact O-CA 3.48Å; C88-F255 HydrophobicContact CB-CD1 4.17Å; C88-F255 HydrophobicContact CB-CD2 4.22Å; C88-F255 HydrophobicContact CB-CE1 3.79Å; C88-F255 HydrophobicContact CB-CE2 3.83Å; C88-F255 HydrophobicContact CB-CG 4.37Å; C88-F255 HydrophobicContact CB-CZ 3.62Å; T214-F255 VanDerWaalsContact CA-O 3.3Å; T214-F255 WeakPolarHBondContact CA-O 3.49Å; S215-F255 PolarHBondContact N-O 3.48Å; S215-F255 PolarHBondContact O-N 2.95Å; Q224-F255 HydrophobicContact CB-CD1 3.94Å; Q224-F255 HydrophobicContact CB-CE1 4.11Å; Q224-F255 HydrophobicContact CG-CB 4.09Å; Q224-F255 HydrophobicContact CG-CD1 3.69Å; Q224-F255 HydrophobicContact CG-CE1 4.22Å; Q224-F255 HydrophobicContact CG-CG 3.88Å; Y245-F255 HydrophobicContact CD1-CE2 4.13Å; Y245-F255 HydrophobicContact CD1-CZ 4.38Å; Y245-F255 AromaticContact CE1-CE2 3.93Å; Y245-F255 HydrophobicContact CE1-CE2 3.93Å; Y245-F255 AromaticContact CE1-CZ 3.73Å; Y245-F255 HydrophobicContact CE1-CZ 3.73Å; Y245-F255 HydrophobicContact CE2-CZ 4.47Å; Y245-F255 AromaticContact CZ-CZ 3.78Å; F255-F311 HydrophobicContact CE1-CE1 4.5Å; F255-F311 HydrophobicContact CE1-CE2 4.41Å; F255-F311 HydrophobicContact CE1-CZ 4.13Å
256	M	98.6	Very high	97.5	Very high	0 Å²	0	7.5 Å²	7.5	0%	0	4%	0.041	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	153.8	176.7	-59.1	-176.7	68.3	0	0	111.2	Q86 Y87 I89 L211 E213 T214 V254 D260 L261	Q86-M256 WeakPolarHBondContact CA-O 3.36Å; Y87-M256 PolarHBondContact N-O 3.07Å; Y87-M256 PolarHBondContact O-N 3.03Å; I89-M256 HydrophobicContact CD1-CG 4.14Å; I89-M256 HydrophobicContact CD1-SD 3.61Å; I89-M256 HydrophobicContact CG2-CB 3.85Å; I89-M256 HydrophobicContact CG2-CG 4.2Å; L211-M256 HydrophobicContact CD1-CE 3.93Å; E213-M256 WeakPolarHBondContact O-CA 3.33Å; T214-M256 HydrophobicContact CG2-CG 3.89Å; T214-M256 HydrophobicContact CG2-SD 4.5Å; T214-M256 WeakPolarHBondContact OG1-CE 3.38Å; V254-M256 HydrophobicContact CG1-CG 3.84Å; V254-M256 HydrophobicContact CG1-SD 4.41Å; M256-D260 HydrophobicContact CE-CB 3.85Å; M256-L261 HydrophobicContact CE-CB 4.37Å; M256-L261 HydrophobicContact CE-CD1 4.2Å; M256-L261 HydrophobicContact SD-CD1 3.92Å
257	S	98	Very high	97.4	Very high	0 Å²	0	9 Å²	9	0%	0	5%	0.049	C	C	.	.			trans	-80.9	170.4	164.5	75.6	0	0	0	0	112.2	T85 E213 E259 D260 L261	T85-S257 WeakPolarHBondContact O-CA 3.29Å; E213-S257 WeakPolarHBondContact CB-OG 3.41Å; E213-S257 PolarHBondContact O-N 3.33Å; E213-S257 VanDerWaalsContact O-N 3.11Å; E213-S257 WeakPolarHBondContact OE2-CB 3.36Å; E213-S257 PolarHBondContact OE2-OG 3.26Å; S257-E259 VanDerWaalsContact C-N 3.3Å; S257-E259 PolarHBondContact O-N 3.06Å; S257-E259 PolarHBondContact OG-N 3.31Å; S257-D260 PolarHBondContact OG-N 3.14Å; S257-L261 WeakPolarHBondContact O-CB 3.46Å; S257-L261 PolarHBondContact O-N 3.29Å; S257-L261 VanDerWaalsContact O-N 3.1Å
258	G	97.4	Very high	97.5	Very high	1 Å²	1	7.7 Å²	7.7	1%	0.01	4%	0.042	C	C	.	.	H	α-helix	trans	-62.7	-38.1	174.3	0	0	0	0	0	112.3	Y262	G258-Y262 WeakPolarHBondContact O-CB 3.35Å; G258-Y262 PolarHBondContact O-N 2.75Å
259	E	96.7	Very high	97.3	Very high	12 Å²	12	7.5 Å²	7.5	6%	0.056	4%	0.04	C	C	.	.	H	α-helix	trans	-69.8	-43.7	-179.5	-59.2	-165	157.6	0	0	112.6	L27 L57 N67 S257 L261 Y262 S263	L27-E259 HydrophobicContact CD1-CB 4.06Å; L27-E259 HydrophobicContact CD1-CG 3.98Å; L57-E259 HydrophobicContact CD1-CG 4.36Å; N67-E259 PolarHBondContact ND2-OE1 3.03Å; S257-E259 VanDerWaalsContact C-N 3.3Å; S257-E259 PolarHBondContact O-N 3.06Å; S257-E259 PolarHBondContact OG-N 3.31Å; E259-L261 VanDerWaalsContact C-N 3.33Å; E259-Y262 WeakPolarHBondContact O-CB 3.31Å; E259-Y262 PolarHBondContact O-N 3.37Å; E259-S263 WeakPolarHBondContact O-CB 3.44Å; E259-S263 PolarHBondContact O-N 3.37Å; E259-S263 PolarHBondContact O-OG 3.09Å
260	D	97.4	Very high	97	Very high	12 Å²	12	10.7 Å²	10.7	6%	0.064	6%	0.055	C	C	.	.	H	α-helix	trans	-66.2	-38.6	176.8	-97.3	18.2	0	0	0	111	L211 K212 E213 T214 M256 S257 S263 Y264	L211-D260 WeakPolarHBondContact CA-OD1 3.37Å; L211-D260 WeakPolarHBondContact CA-OD2 3.36Å; L211-D260 HydrophobicContact CB-CB 4.42Å; L211-D260 VanDerWaalsContact CB-OD2 3.31Å; L211-D260 WeakPolarHBondContact CB-OD2 3.47Å; L211-D260 HydrophobicContact CD2-CB 4.4Å; L211-D260 WeakPolarHBondContact CD2-O 3.41Å; K212-D260 PolarHBondContact N-OD1 2.8Å; K212-D260 PolarHBondContact N-OD2 2.97Å; K212-D260 VanDerWaalsContact N-OD2 3.14Å; E213-D260 WeakPolarHBondContact CA-OD2 3.3Å; E213-D260 HydrophobicContact CB-CB 4.45Å; E213-D260 PolarHBondContact N-OD2 3.23Å; T214-D260 WeakPolarHBondContact CB-OD2 3.27Å; T214-D260 PolarHBondContact N-OD2 3.18Å; T214-D260 PolarHBondContact OG1-OD2 3.18Å; M256-D260 HydrophobicContact CE-CB 3.85Å; S257-D260 PolarHBondContact OG-N 3.14Å; D260-S263 PolarHBondContact O-N 3.06Å; D260-Y264 WeakPolarHBondContact O-CB 3.48Å; D260-Y264 PolarHBondContact O-N 2.96Å
261	L	97.7	Very high	96.8	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-68.8	-39	176.9	-167.2	59.3	0	0	0	111.3	I89 V92 M256 S257 E259 Y264 F265 V315 I326 L328	I89-L261 HydrophobicContact CG2-CD2 4.44Å; V92-L261 HydrophobicContact CG1-CD1 3.96Å; V92-L261 HydrophobicContact CG1-CD2 4.36Å; M256-L261 HydrophobicContact CE-CB 4.37Å; M256-L261 HydrophobicContact CE-CD1 4.2Å; M256-L261 HydrophobicContact SD-CD1 3.92Å; S257-L261 WeakPolarHBondContact O-CB 3.46Å; S257-L261 PolarHBondContact O-N 3.29Å; S257-L261 VanDerWaalsContact O-N 3.1Å; E259-L261 VanDerWaalsContact C-N 3.33Å; L261-Y264 HydrophobicContact CD1-CD1 4.27Å; L261-Y264 PolarHBondContact O-N 3.39Å; L261-F265 HydrophobicContact CD1-CD2 4.21Å; L261-F265 HydrophobicContact CD1-CE2 3.74Å; L261-F265 HydrophobicContact CG-CD2 4.19Å; L261-F265 HydrophobicContact CG-CE2 3.95Å; L261-F265 VanDerWaalsContact O-CD2 3.23Å; L261-F265 WeakPolarHBondContact O-CD2 3.43Å; L261-F265 PolarHBondContact O-N 3.07Å; L261-F265 VanDerWaalsContact O-N 3.15Å; L261-V315 HydrophobicContact CD2-CG2 3.59Å; L261-V315 HydrophobicContact CG-CG2 4.23Å; L261-I326 HydrophobicContact CB-CD1 4.38Å; L261-I326 HydrophobicContact CD2-CG2 3.98Å; L261-I326 HydrophobicContact CG-CD1 4.42Å; L261-L328 HydrophobicContact CD2-CD2 3.88Å
262	Y	97.1	Very high	96.6	Very high	4 Å²	4	22.5 Å²	22.5	2%	0.016	11%	0.111	C	C	.	.	H	α-helix	trans	-58	-51.6	170.2	169.2	-104.4	0	0	0	111.1	L27 L57 F59 G62 V64 G258 E259 Y264 F265 Q266 I326	L27-Y262 HydrophobicContact CD1-CD1 3.59Å; L27-Y262 HydrophobicContact CD1-CE1 3.94Å; L27-Y262 HydrophobicContact CD1-CG 4.5Å; L57-Y262 HydrophobicContact CD1-CG 4.19Å; L57-Y262 HydrophobicContact CD2-CD2 3.75Å; L57-Y262 HydrophobicContact CD2-CE2 4.43Å; L57-Y262 HydrophobicContact CD2-CG 3.95Å; F59-Y262 HydrophobicContact CB-CE2 4.05Å; F59-Y262 AromaticContact CD1-CD2 3.68Å; F59-Y262 HydrophobicContact CD1-CD2 3.68Å; F59-Y262 AromaticContact CD1-CE2 3.69Å; F59-Y262 HydrophobicContact CD1-CE2 3.69Å; F59-Y262 HydrophobicContact CD2-CE2 4.07Å; F59-Y262 AromaticContact CE1-CD2 3.83Å; F59-Y262 HydrophobicContact CE1-CD2 3.83Å; F59-Y262 HydrophobicContact CE1-CE2 4.1Å; F59-Y262 HydrophobicContact CE2-CE2 4.44Å; F59-Y262 HydrophobicContact CG-CD2 4.17Å; F59-Y262 AromaticContact CG-CE2 3.68Å; F59-Y262 HydrophobicContact CG-CE2 3.68Å; F59-Y262 HydrophobicContact CZ-CD2 4.43Å; F59-Y262 HydrophobicContact CZ-CE2 4.44Å; G62-Y262 PolarHBondContact O-OH 3.25Å; V64-Y262 HydrophobicContact CG2-CE1 4.06Å; V64-Y262 HydrophobicContact CG2-CE2 4.23Å; G258-Y262 WeakPolarHBondContact O-CB 3.35Å; G258-Y262 PolarHBondContact O-N 2.75Å; E259-Y262 WeakPolarHBondContact O-CB 3.31Å; E259-Y262 PolarHBondContact O-N 3.37Å; Y262-Y264 VanDerWaalsContact C-N 3.33Å; Y262-Y264 PolarHBondContact O-N 2.73Å; Y262-F265 PolarHBondContact O-N 3.21Å; Y262-Q266 HydrophobicContact CD1-CG 4.3Å; Y262-Q266 HydrophobicContact CD2-CG 3.93Å; Y262-Q266 HydrophobicContact CE1-CG 3.92Å; Y262-Q266 HydrophobicContact CE2-CG 3.5Å; Y262-Q266 HydrophobicContact CG-CG 4.31Å; Y262-Q266 WeakPolarHBondContact O-CG 3.48Å; Y262-Q266 PolarHBondContact O-N 3.37Å; Y262-I326 VanDerWaalsContact CA-CD1 3.42Å; Y262-I326 VanDerWaalsContact N-CD1 3.35Å
263	S	96.3	Very high	96.5	Very high	37 Å²	37	23.2 Å²	23.2	26%	0.259	11%	0.114	S	C	.	.	H	α-helix	trans	-59.6	-43.7	-179	-58.8	0	0	0	0	111.3	E259 D260 F265 Q266 D267	E259-S263 WeakPolarHBondContact O-CB 3.44Å; E259-S263 PolarHBondContact O-N 3.37Å; E259-S263 PolarHBondContact O-OG 3.09Å; D260-S263 PolarHBondContact O-N 3.06Å; S263-F265 PolarHBondContact O-N 3.08Å; S263-Q266 PolarHBondContact O-N 3.2Å; S263-D267 VanDerWaalsContact O-CB 3.3Å; S263-D267 WeakPolarHBondContact O-CB 3.38Å; S263-D267 PolarHBondContact O-N 3.35Å
264	Y	97.6	Very high	96.4	Very high	3 Å²	3	22.9 Å²	22.9	1%	0.012	11%	0.112	C	C	.	.	H	α-helix	trans	-54.3	-52.9	173.6	168	-103.3	0	0	0	111.9	G95 Q96 L205 M209 D260 L261 Y262 Q266 D267 L268	G95-Y264 PolarHBondContact O-OH 3.18Å; Q96-Y264 HydrophobicContact CG-CD2 4.2Å; Q96-Y264 HydrophobicContact CG-CE1 4.32Å; Q96-Y264 HydrophobicContact CG-CE2 3.79Å; Q96-Y264 PolarHBondContact N-OH 3.28Å; L205-Y264 HydrophobicContact CD1-CE2 4.19Å; L205-Y264 HydrophobicContact CD2-CD2 4.34Å; M209-Y264 HydrophobicContact SD-CD2 3.86Å; M209-Y264 HydrophobicContact SD-CE2 4.42Å; D260-Y264 WeakPolarHBondContact O-CB 3.48Å; D260-Y264 PolarHBondContact O-N 2.96Å; L261-Y264 HydrophobicContact CD1-CD1 4.27Å; L261-Y264 PolarHBondContact O-N 3.39Å; Y262-Y264 VanDerWaalsContact C-N 3.33Å; Y262-Y264 PolarHBondContact O-N 2.73Å; Y264-Q266 PolarHBondContact O-N 3.08Å; Y264-D267 PolarHBondContact O-N 3.12Å; Y264-L268 HydrophobicContact CE1-CD1 3.85Å; Y264-L268 HydrophobicContact CE2-CD1 4.26Å; Y264-L268 HydrophobicContact CE2-CD2 4.17Å; Y264-L268 HydrophobicContact CE2-CG 4.35Å; Y264-L268 WeakPolarHBondContact O-CG 3.35Å; Y264-L268 PolarHBondContact O-N 3.42Å
265	F	96.6	Very high	96.3	Very high	7 Å²	7	25.2 Å²	25.2	3%	0.031	13%	0.126	C	C	.	.	H	α-helix	trans	-65.5	-39.9	-179.7	-80.5	-71.4	0	0	0	112.6	V92 L261 Y262 S263 L268 Y269 I295 V315 F317	V92-F265 HydrophobicContact CG1-CE2 4.45Å; V92-F265 HydrophobicContact CG1-CZ 4.42Å; L261-F265 HydrophobicContact CD1-CD2 4.21Å; L261-F265 HydrophobicContact CD1-CE2 3.74Å; L261-F265 HydrophobicContact CG-CD2 4.19Å; L261-F265 HydrophobicContact CG-CE2 3.95Å; L261-F265 VanDerWaalsContact O-CD2 3.23Å; L261-F265 WeakPolarHBondContact O-CD2 3.43Å; L261-F265 PolarHBondContact O-N 3.07Å; L261-F265 VanDerWaalsContact O-N 3.15Å; Y262-F265 PolarHBondContact O-N 3.21Å; S263-F265 PolarHBondContact O-N 3.08Å; F265-L268 HydrophobicContact CD1-CD1 4.34Å; F265-L268 PolarHBondContact O-N 3.32Å; F265-Y269 WeakPolarHBondContact O-CD2 3.49Å; F265-I295 HydrophobicContact CE1-CG2 4.31Å; F265-V315 HydrophobicContact CD2-CG1 3.7Å; F265-V315 HydrophobicContact CE2-CB 4.03Å; F265-V315 HydrophobicContact CE2-CG1 3.47Å; F265-V315 VanDerWaalsContact CE2-CG1 3.47Å; F265-V315 HydrophobicContact CE2-CG2 3.82Å; F265-V315 HydrophobicContact CG-CG1 4.39Å; F265-V315 HydrophobicContact CZ-CB 4.35Å; F265-V315 HydrophobicContact CZ-CG1 3.94Å; F265-V315 HydrophobicContact CZ-CG2 4.43Å; F265-F317 HydrophobicContact CD1-CD1 4.32Å; F265-F317 AromaticContact CD1-CE1 3.59Å; F265-F317 HydrophobicContact CD1-CE1 3.59Å; F265-F317 HydrophobicContact CD1-CE2 4.38Å; F265-F317 AromaticContact CD1-CZ 3.63Å; F265-F317 HydrophobicContact CD1-CZ 3.63Å; F265-F317 HydrophobicContact CE1-CD1 4.47Å; F265-F317 AromaticContact CE1-CE1 3.5Å; F265-F317 HydrophobicContact CE1-CE1 3.5Å; F265-F317 VanDerWaalsContact CE1-CE1 3.5Å; F265-F317 AromaticContact CE1-CZ 3.73Å; F265-F317 HydrophobicContact CE1-CZ 3.73Å; F265-F317 HydrophobicContact CG-CE1 4.34Å; F265-F317 HydrophobicContact CZ-CE1 4.2Å
266	Q	95.8	Very high	96.2	Very high	10 Å²	10	28.9 Å²	28.9	5%	0.047	15%	0.149	C	C	.	.	H	α-helix	trans	-63.8	-40.8	176.3	-67.9	-58.5	-46.5	0	0	111.8	T24 Y262 S263 Y264 L268 Y269 G321	T24-Q266 HydrophobicContact CG2-CB 4.31Å; T24-Q266 HydrophobicContact CG2-CG 4.21Å; T24-Q266 VanDerWaalsContact CG2-OE1 3.28Å; Y262-Q266 HydrophobicContact CD1-CG 4.3Å; Y262-Q266 HydrophobicContact CD2-CG 3.93Å; Y262-Q266 HydrophobicContact CE1-CG 3.92Å; Y262-Q266 HydrophobicContact CE2-CG 3.5Å; Y262-Q266 HydrophobicContact CG-CG 4.31Å; Y262-Q266 WeakPolarHBondContact O-CG 3.48Å; Y262-Q266 PolarHBondContact O-N 3.37Å; S263-Q266 PolarHBondContact O-N 3.2Å; Y264-Q266 PolarHBondContact O-N 3.08Å; Q266-L268 VanDerWaalsContact C-N 3.28Å; Q266-L268 PolarHBondContact O-N 3.16Å; Q266-Y269 WeakPolarHBondContact O-CB 3.33Å; Q266-Y269 PolarHBondContact O-N 2.86Å; Q266-G321 PolarHBondContact NE2-O 2.92Å
267	D	96.4	Very high	96.1	Very high	33 Å²	33	36.7 Å²	36.7	18%	0.176	19%	0.185	C	C	.	.	H	α-helix	trans	-63.7	-31.8	178.5	-86.3	-8.6	0	0	0	112.3	M209 S263 Y264 Y269 Q270 F273	M209-D267 WeakPolarHBondContact CA-OD2 3.23Å; M209-D267 VanDerWaalsContact CB-OD2 3.29Å; M209-D267 WeakPolarHBondContact CB-OD2 3.45Å; M209-D267 HydrophobicContact CE-CB 4.2Å; M209-D267 HydrophobicContact CG-CB 4.16Å; M209-D267 WeakPolarHBondContact CG-OD2 3.34Å; M209-D267 HydrophobicContact SD-CB 4.28Å; S263-D267 VanDerWaalsContact O-CB 3.3Å; S263-D267 WeakPolarHBondContact O-CB 3.38Å; S263-D267 PolarHBondContact O-N 3.35Å; Y264-D267 PolarHBondContact O-N 3.12Å; D267-Y269 PolarHBondContact O-N 2.87Å; D267-Q270 WeakPolarHBondContact O-CB 3.43Å; D267-Q270 PolarHBondContact O-N 2.93Å; D267-F273 HydrophobicContact CB-CD2 3.67Å; D267-F273 HydrophobicContact CB-CE2 3.62Å; D267-F273 HydrophobicContact CB-CG 4.43Å; D267-F273 HydrophobicContact CB-CZ 4.36Å; D267-F273 VanDerWaalsContact O-CD2 3.3Å; D267-F273 WeakPolarHBondContact O-CD2 3.31Å; D267-F273 WeakPolarHBondContact OD2-CE2 3.25Å
268	L	96.5	Very high	96	Very high	2 Å²	2	38.2 Å²	38.2	1%	0.01	19%	0.193	C	C	.	.	H	α-helix	trans	-63.3	-24.5	173.3	-62.2	177.9	0	0	0	113.1	Y99 M209 Y264 F265 Q266 Q270 L274 R279 W283	Y99-L268 HydrophobicContact CD2-CD2 3.67Å; Y99-L268 HydrophobicContact CE2-CD2 4.28Å; Y99-L268 HydrophobicContact CG-CD2 4.32Å; M209-L268 HydrophobicContact CE-CD2 4.24Å; Y264-L268 HydrophobicContact CE1-CD1 3.85Å; Y264-L268 HydrophobicContact CE2-CD1 4.26Å; Y264-L268 HydrophobicContact CE2-CD2 4.17Å; Y264-L268 HydrophobicContact CE2-CG 4.35Å; Y264-L268 WeakPolarHBondContact O-CG 3.35Å; Y264-L268 PolarHBondContact O-N 3.42Å; F265-L268 HydrophobicContact CD1-CD1 4.34Å; F265-L268 PolarHBondContact O-N 3.32Å; Q266-L268 VanDerWaalsContact C-N 3.28Å; Q266-L268 PolarHBondContact O-N 3.16Å; L268-Q270 VanDerWaalsContact C-N 3.33Å; L268-L274 HydrophobicContact CD2-CD1 3.81Å; L268-L274 HydrophobicContact CD2-CG 4.36Å; L268-R279 WeakPolarHBondContact O-CD 3.23Å; L268-R279 PolarHBondContact O-NH1 3.29Å; L268-W283 HydrophobicContact CB-CH2 4.45Å; L268-W283 HydrophobicContact CB-CZ2 4.25Å; L268-W283 HydrophobicContact CD1-CZ2 3.69Å
269	Y	94.7	Very high	96	Very high	18 Å²	18	39.4 Å²	39.4	7%	0.071	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-11.2	174.7	-77.1	-84.8	0	0	0	113.6	F265 Q266 D267 W283 F317 S318 K319 G321	F265-Y269 WeakPolarHBondContact O-CD2 3.49Å; Q266-Y269 WeakPolarHBondContact O-CB 3.33Å; Q266-Y269 PolarHBondContact O-N 2.86Å; D267-Y269 PolarHBondContact O-N 2.87Å; Y269-W283 HydrophobicContact CE1-CZ3 4.28Å; Y269-W283 AromaticContact CE2-CH2 3.82Å; Y269-W283 HydrophobicContact CE2-CH2 3.82Å; Y269-W283 HydrophobicContact CE2-CZ3 4.13Å; Y269-W283 AromaticContact CZ-CH2 3.92Å; Y269-W283 AromaticContact CZ-CZ3 3.73Å; Y269-F317 HydrophobicContact CE2-CD2 4.11Å; Y269-F317 AromaticContact CE2-CE2 3.94Å; Y269-F317 HydrophobicContact CE2-CE2 3.94Å; Y269-F317 WeakPolarHBondContact OH-CE2 3.48Å; Y269-S318 PolarHBondContact OH-O 2.83Å; Y269-K319 VanDerWaalsContact CE1-O 3.3Å; Y269-K319 WeakPolarHBondContact CE1-O 3.47Å; Y269-K319 PolarHBondContact OH-O 3.28Å; Y269-G321 VanDerWaalsContact CE2-CA 3.5Å; Y269-G321 PolarHBondContact OH-N 2.75Å
270	Q	91.8	Very high	96	Very high	74 Å²	74	41.8 Å²	41.8	35%	0.346	22%	0.219	S	C	.	.	S	Bend	trans	-86.7	124.2	177.5	-56.5	-69	0.4	0	0	110.1	D267 L268 K272 F273 L274	D267-Q270 WeakPolarHBondContact O-CB 3.43Å; D267-Q270 PolarHBondContact O-N 2.93Å; L268-Q270 VanDerWaalsContact C-N 3.33Å; Q270-K272 PolarHBondContact O-N 3.39Å; Q270-F273 HydrophobicContact CB-CD2 4.23Å; Q270-F273 PolarHBondContact O-N 3.43Å; Q270-L274 PolarHBondContact O-N 2.9Å
271	D	93	Very high	95.9	Very high	89 Å²	89	43 Å²	43	48%	0.476	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-13.8	-179.6	-79.3	-16.4	0	0	0	113.3	L274 T275 T276	D271-L274 WeakPolarHBondContact CA-O 3.48Å; D271-T275 WeakPolarHBondContact OD1-CA 3.3Å; D271-T276 PolarHBondContact OD1-N 3.23Å; D271-T276 PolarHBondContact OD1-OG1 3.01Å
272	K	94.3	Very high	95.9	Very high	161 Å²	161	43.2 Å²	43.2	70%	0.7	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-40.7	169.5	-179.9	-172.2	170.6	-163.3	0	112.8	Q270	Q270-K272 PolarHBondContact O-N 3.39Å
273	F	96.2	Very high	95.9	Very high	14 Å²	14	43.6 Å²	43.6	6%	0.061	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.9	-59.4	-176.1	-63.3	-78.8	0	0	0	110.4	Y99 K106 P208 M209 D267 Q270	Y99-F273 HydrophobicContact CE2-CB 4.28Å; K106-F273 PolarHBondContact NZ-O 3Å; P208-F273 HydrophobicContact CB-CE1 4.12Å; M209-F273 HydrophobicContact CB-CE1 4.43Å; M209-F273 HydrophobicContact CB-CZ 4.37Å; M209-F273 HydrophobicContact CE-CB 4.02Å; M209-F273 HydrophobicContact CE-CD1 3.68Å; M209-F273 HydrophobicContact CE-CD2 4.48Å; M209-F273 HydrophobicContact CE-CE1 4.22Å; M209-F273 HydrophobicContact CE-CG 3.82Å; M209-F273 HydrophobicContact CG-CD1 3.91Å; M209-F273 HydrophobicContact CG-CE1 3.44Å; M209-F273 VanDerWaalsContact CG-CE1 3.44Å; M209-F273 HydrophobicContact CG-CE2 4.35Å; M209-F273 HydrophobicContact CG-CZ 3.68Å; D267-F273 HydrophobicContact CB-CD2 3.67Å; D267-F273 HydrophobicContact CB-CE2 3.62Å; D267-F273 HydrophobicContact CB-CG 4.43Å; D267-F273 HydrophobicContact CB-CZ 4.36Å; D267-F273 VanDerWaalsContact O-CD2 3.3Å; D267-F273 WeakPolarHBondContact O-CD2 3.31Å; D267-F273 WeakPolarHBondContact OD2-CE2 3.25Å; Q270-F273 HydrophobicContact CB-CD2 4.23Å; Q270-F273 PolarHBondContact O-N 3.43Å
274	L	95.8	Very high	95.9	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	24%	0.243	C	C	.	.	S	Bend	trans	-124	126.1	172.1	-64.2	-178.6	0	0	0	109.2	Y99 M102 L268 Q270 D271 E278 R279 L282	Y99-L274 HydrophobicContact CD2-CD1 4.19Å; Y99-L274 HydrophobicContact CD2-CD2 4.07Å; Y99-L274 HydrophobicContact CD2-CG 4.07Å; Y99-L274 HydrophobicContact CE2-CD2 4.02Å; Y99-L274 HydrophobicContact CE2-CG 4.06Å; M102-L274 HydrophobicContact CB-CD2 4.2Å; M102-L274 HydrophobicContact CG-CD2 3.76Å; L268-L274 HydrophobicContact CD2-CD1 3.81Å; L268-L274 HydrophobicContact CD2-CG 4.36Å; Q270-L274 PolarHBondContact O-N 2.9Å; D271-L274 WeakPolarHBondContact CA-O 3.48Å; L274-E278 WeakPolarHBondContact CA-OE2 3.22Å; L274-E278 HydrophobicContact CB-CB 4.36Å; L274-E278 HydrophobicContact CD2-CB 4.24Å; L274-R279 HydrophobicContact CB-CB 4.18Å; L274-R279 HydrophobicContact CD1-CB 4.31Å; L274-L282 HydrophobicContact CD1-CD2 3.92Å
275	T	96.5	Very high	95.8	Very high	49 Å²	49	47.8 Å²	47.8	30%	0.301	25%	0.251	S	S	.	.			trans	-60.8	157.7	166.5	68.8	0	0	0	0	109.8	D271 Q277 E278 R279	D271-T275 WeakPolarHBondContact OD1-CA 3.3Å; T275-Q277 PolarHBondContact O-N 3.4Å; T275-Q277 VanDerWaalsContact O-N 3.15Å; T275-E278 PolarHBondContact N-OE2 3.13Å; T275-E278 PolarHBondContact O-N 3.33Å; T275-E278 VanDerWaalsContact O-N 3.1Å; T275-E278 WeakPolarHBondContact OG1-CB 3.28Å; T275-E278 WeakPolarHBondContact OG1-CG 3.49Å; T275-E278 PolarHBondContact OG1-N 3.14Å; T275-E278 VanDerWaalsContact OG1-N 3.12Å; T275-E278 PolarHBondContact OG1-OE2 3.12Å; T275-R279 WeakPolarHBondContact O-CB 3.29Å; T275-R279 PolarHBondContact O-N 3.39Å
276	T	95.8	Very high	95.8	Very high	81 Å²	81	50.3 Å²	50.3	50%	0.497	26%	0.261	S	S	.	.	H	α-helix	trans	-53	-35.6	174.1	-66.3	0	0	0	0	113.3	D271 R279 A280	D271-T276 PolarHBondContact OD1-N 3.23Å; D271-T276 PolarHBondContact OD1-OG1 3.01Å; T276-R279 PolarHBondContact OG1-NH2 2.78Å; T276-A280 VanDerWaalsContact O-CB 3.27Å; T276-A280 WeakPolarHBondContact O-CB 3.31Å; T276-A280 PolarHBondContact O-N 2.82Å
277	Q	96.4	Very high	95.7	Very high	163 Å²	163	55.9 Å²	55.9	76%	0.762	30%	0.298	S	S	*	.	H	α-helix	trans	-71.4	-45	176.1	-175.6	178.6	-1	0	0	112.3	T275 R279 A280 A281	T275-Q277 PolarHBondContact O-N 3.4Å; T275-Q277 VanDerWaalsContact O-N 3.15Å; Q277-R279 VanDerWaalsContact C-N 3.35Å; Q277-R279 PolarHBondContact O-N 3.16Å; Q277-A280 PolarHBondContact O-N 2.89Å; Q277-A281 WeakPolarHBondContact O-CB 2.75Å; Q277-A281 PolarHBondContact O-N 2.79Å
278	E	97	Very high	95.6	Very high	33 Å²	33	58.7 Å²	58.7	15%	0.154	34%	0.335	C	S	.	.	H	α-helix	trans	-60.9	-44.4	177.4	-70.2	166.7	161.9	0	0	111	M102 K106 L274 T275 A281 L282	M102-E278 HydrophobicContact CE-CB 3.89Å; M102-E278 HydrophobicContact CE-CG 3.8Å; M102-E278 HydrophobicContact CG-CB 4.49Å; K106-E278 VanDerWaalsContact CD-OE1 3.27Å; K106-E278 WeakPolarHBondContact CD-OE1 3.43Å; K106-E278 WeakPolarHBondContact CE-OE1 3.44Å; K106-E278 WeakPolarHBondContact CG-OE1 3.44Å; K106-E278 IonicContact NZ-OE1 3.36Å; K106-E278 PolarHBondContact NZ-OE1 2.88Å; K106-E278 IonicContact NZ-OE2 2.89Å; K106-E278 PolarHBondContact NZ-OE2 2.74Å; L274-E278 WeakPolarHBondContact CA-OE2 3.22Å; L274-E278 HydrophobicContact CB-CB 4.36Å; L274-E278 HydrophobicContact CD2-CB 4.24Å; T275-E278 PolarHBondContact N-OE2 3.13Å; T275-E278 PolarHBondContact O-N 3.33Å; T275-E278 VanDerWaalsContact O-N 3.1Å; T275-E278 WeakPolarHBondContact OG1-CB 3.28Å; T275-E278 WeakPolarHBondContact OG1-CG 3.49Å; T275-E278 PolarHBondContact OG1-N 3.14Å; T275-E278 VanDerWaalsContact OG1-N 3.12Å; T275-E278 PolarHBondContact OG1-OE2 3.12Å; E278-A281 PolarHBondContact O-N 3Å; E278-L282 WeakPolarHBondContact O-CB 3.46Å; E278-L282 PolarHBondContact O-N 2.77Å
279	R	97	Very high	95.6	Very high	26 Å²	26	60.4 Å²	60.4	10%	0.098	34%	0.343	C	S	.	.	H	α-helix	trans	-62.9	-44.1	175.2	-178.9	175.7	62.3	-106.1	-2.9	111.9	L268 L274 T275 T276 Q277 A281 L282 W283	L268-R279 WeakPolarHBondContact O-CD 3.23Å; L268-R279 PolarHBondContact O-NH1 3.29Å; L274-R279 HydrophobicContact CB-CB 4.18Å; L274-R279 HydrophobicContact CD1-CB 4.31Å; T275-R279 WeakPolarHBondContact O-CB 3.29Å; T275-R279 PolarHBondContact O-N 3.39Å; T276-R279 PolarHBondContact OG1-NH2 2.78Å; Q277-R279 VanDerWaalsContact C-N 3.35Å; Q277-R279 PolarHBondContact O-N 3.16Å; R279-A281 VanDerWaalsContact C-N 3.32Å; R279-A281 PolarHBondContact O-N 3.03Å; R279-L282 PolarHBondContact O-N 2.97Å; R279-W283 VanDerWaalsContact CD-CZ3 3.47Å; R279-W283 HydrophobicContact CG-CD2 3.82Å; R279-W283 HydrophobicContact CG-CE3 3.58Å; R279-W283 HydrophobicContact CG-CH2 4.02Å; R279-W283 HydrophobicContact CG-CZ2 4.23Å; R279-W283 HydrophobicContact CG-CZ3 3.69Å; R279-W283 WeakPolarHBondContact O-CB 3.43Å; R279-W283 PolarHBondContact O-N 2.9Å
280	A	96	Very high	95.7	Very high	62 Å²	62	65.5 Å²	65.5	51%	0.512	37%	0.365	S	S	.	.	H	α-helix	trans	-62.3	-40.5	177.4	0	0	0	0	0	111.8	T276 Q277 Q284	T276-A280 VanDerWaalsContact O-CB 3.27Å; T276-A280 WeakPolarHBondContact O-CB 3.31Å; T276-A280 PolarHBondContact O-N 2.82Å; Q277-A280 PolarHBondContact O-N 2.89Å; A280-Q284 WeakPolarHBondContact O-CB 3.38Å; A280-Q284 PolarHBondContact O-N 3.19Å; A280-Q284 VanDerWaalsContact O-N 3.16Å
281	A	96.5	Very high	96	Very high	37 Å²	37	62.1 Å²	62.1	31%	0.306	35%	0.349	S	S	.	.	H	α-helix	trans	-64.9	-43.2	175.2	0	0	0	0	0	111.9	Q277 E278 R279 W283 Q284	Q277-A281 WeakPolarHBondContact O-CB 2.75Å; Q277-A281 PolarHBondContact O-N 2.79Å; E278-A281 PolarHBondContact O-N 3Å; R279-A281 VanDerWaalsContact C-N 3.32Å; R279-A281 PolarHBondContact O-N 3.03Å; A281-W283 VanDerWaalsContact C-N 3.35Å; A281-W283 PolarHBondContact O-N 2.79Å; A281-Q284 PolarHBondContact O-N 2.7Å
282	L	96.5	Very high	96.3	Very high	4 Å²	4	58 Å²	58	2%	0.021	33%	0.327	C	S	.	.	H	α-helix	trans	-64.3	-38.9	179.1	-167.5	64	0	0	0	112	A98 M102 L135 L274 E278 R279 S293	A98-L282 HydrophobicContact CB-CD1 4.13Å; M102-L282 HydrophobicContact CB-CD1 4.05Å; M102-L282 HydrophobicContact CB-CD2 4.22Å; M102-L282 HydrophobicContact CG-CD1 4.46Å; M102-L282 HydrophobicContact SD-CD1 4.45Å; L135-L282 HydrophobicContact CD1-CD1 4.37Å; L274-L282 HydrophobicContact CD1-CD2 3.92Å; E278-L282 WeakPolarHBondContact O-CB 3.46Å; E278-L282 PolarHBondContact O-N 2.77Å; R279-L282 PolarHBondContact O-N 2.97Å; L282-S293 WeakPolarHBondContact CD1-OG 3.34Å; L282-S293 WeakPolarHBondContact O-CB 3.43Å; L282-S293 PolarHBondContact O-OG 3.26Å
283	W	96.9	Very high	96.5	Very high	12 Å²	12	50.4 Å²	50.4	5%	0.045	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.6	14.3	-176.7	-63.3	-13.3	0	0	0	114.1	L268 Y269 R279 A281 S285 I295 Y302 F317	L268-W283 HydrophobicContact CB-CH2 4.45Å; L268-W283 HydrophobicContact CB-CZ2 4.25Å; L268-W283 HydrophobicContact CD1-CZ2 3.69Å; Y269-W283 HydrophobicContact CE1-CZ3 4.28Å; Y269-W283 AromaticContact CE2-CH2 3.82Å; Y269-W283 HydrophobicContact CE2-CH2 3.82Å; Y269-W283 HydrophobicContact CE2-CZ3 4.13Å; Y269-W283 AromaticContact CZ-CH2 3.92Å; Y269-W283 AromaticContact CZ-CZ3 3.73Å; R279-W283 VanDerWaalsContact CD-CZ3 3.47Å; R279-W283 HydrophobicContact CG-CD2 3.82Å; R279-W283 HydrophobicContact CG-CE3 3.58Å; R279-W283 HydrophobicContact CG-CH2 4.02Å; R279-W283 HydrophobicContact CG-CZ2 4.23Å; R279-W283 HydrophobicContact CG-CZ3 3.69Å; R279-W283 WeakPolarHBondContact O-CB 3.43Å; R279-W283 PolarHBondContact O-N 2.9Å; A281-W283 VanDerWaalsContact C-N 3.35Å; A281-W283 PolarHBondContact O-N 2.79Å; W283-S285 PolarHBondContact O-N 2.83Å; W283-I295 HydrophobicContact CB-CD1 4.01Å; W283-I295 HydrophobicContact CD2-CD1 3.47Å; W283-I295 VanDerWaalsContact CD2-CD1 3.47Å; W283-I295 HydrophobicContact CE3-CD1 4.07Å; W283-I295 HydrophobicContact CG-CD1 3.43Å; W283-I295 VanDerWaalsContact CG-CD1 3.43Å; W283-I295 HydrophobicContact CG-CG1 4.3Å; W283-I295 HydrophobicContact CZ2-CD1 4.31Å; W283-Y302 HydrophobicContact CE3-CD2 4.36Å; W283-Y302 HydrophobicContact CE3-CE1 4.47Å; W283-Y302 AromaticContact CE3-CE2 3.75Å; W283-Y302 HydrophobicContact CE3-CE2 3.75Å; W283-Y302 AromaticContact CE3-CZ 3.79Å; W283-Y302 HydrophobicContact CZ3-CD2 4.2Å; W283-Y302 AromaticContact CZ3-CE2 3.82Å; W283-Y302 HydrophobicContact CZ3-CE2 3.82Å; W283-F317 AromaticContact CH2-CE2 3.93Å; W283-F317 HydrophobicContact CH2-CE2 3.93Å; W283-F317 HydrophobicContact CH2-CZ 4.19Å; W283-F317 HydrophobicContact CZ3-CE2 4.21Å
284	Q	96	Very high	96.6	Very high	104 Å²	104	49.8 Å²	49.8	49%	0.486	29%	0.292	S	S	.	.			trans	-82.6	106.8	176.4	-173.7	-179.2	42.6	0	0	110.9	K132 N136 A280 A281	K132-Q284 VanDerWaalsContact NZ-OE1 3.14Å; N136-Q284 PolarHBondContact ND2-O 2.87Å; N136-Q284 PolarHBondContact OD1-O 2.7Å; A280-Q284 WeakPolarHBondContact O-CB 3.38Å; A280-Q284 PolarHBondContact O-N 3.19Å; A280-Q284 VanDerWaalsContact O-N 3.16Å; A281-Q284 PolarHBondContact O-N 2.7Å
285	S	96	Very high	96.6	Very high	25 Å²	25	49.9 Å²	49.9	18%	0.175	29%	0.293	C	S	.	.	P	Polyproline II helix	trans	-74.3	156	168.2	61.6	0	0	0	0	111.5	W283 E289 Y291	W283-S285 PolarHBondContact O-N 2.83Å; S285-E289 WeakPolarHBondContact CB-O 3.49Å; S285-E289 PolarHBondContact OG-O 3.37Å; S285-Y291 WeakPolarHBondContact CB-O 3.47Å
286	Y	96.1	Very high	96.7	Very high	59 Å²	59	50.3 Å²	50.3	23%	0.231	29%	0.289	C	S	.	.	P	Polyproline II helix	trans	-69.9	157.3	171.1	-74.7	-54.3	0	0	0	112	K132 D133 N136 G288 E289	K132-Y286 HydrophobicContact CD-CE1 4.29Å; D133-Y286 VanDerWaalsContact OD1-CE2 3.31Å; D133-Y286 WeakPolarHBondContact OD1-CE2 3.24Å; D133-Y286 VanDerWaalsContact OD1-CZ 3.31Å; D133-Y286 PolarHBondContact OD1-OH 2.98Å; N136-Y286 HydrophobicContact CB-CD2 4.01Å; N136-Y286 HydrophobicContact CB-CE2 4.1Å; Y286-G288 PolarHBondContact O-N 3.42Å; Y286-E289 WeakPolarHBondContact CB-OE2 3.33Å; Y286-E289 WeakPolarHBondContact O-CB 3.48Å; Y286-E289 PolarHBondContact O-N 2.96Å
287	P	94.8	Very high	96.8	Very high	128 Å²	128	49 Å²	49	83%	0.831	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53	128.5	175.9	-27	35.7	0	0	0	112.4	E289	P287-E289 PolarHBondContact O-N 3.45Å
288	G	94.5	Very high	96.7	Very high	92 Å²	92	44.5 Å²	44.5	95%	0.948	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.4	-9.2	-177.4	0	0	0	0	0	114.9	Y286	Y286-G288 PolarHBondContact O-N 3.42Å
289	E	96	Very high	96.4	Very high	38 Å²	38	49.4 Å²	49.4	18%	0.178	29%	0.291	C	S	.	.			trans	-104.9	155.9	179.5	-56.2	-176.3	165.7	0	0	111.4	S138 Y175 S285 Y286 P287	S138-E289 PolarHBondContact OG-OE1 3.14Å; S138-E289 VanDerWaalsContact OG-OE1 3.09Å; S138-E289 PolarHBondContact OG-OE2 3.38Å; Y175-E289 WeakPolarHBondContact CB-OE1 3.42Å; Y175-E289 PolarHBondContact N-OE1 2.94Å; S285-E289 WeakPolarHBondContact CB-O 3.49Å; S285-E289 PolarHBondContact OG-O 3.37Å; Y286-E289 WeakPolarHBondContact CB-OE2 3.33Å; Y286-E289 WeakPolarHBondContact O-CB 3.48Å; Y286-E289 PolarHBondContact O-N 2.96Å; P287-E289 PolarHBondContact O-N 3.45Å
290	K	97.1	Very high	96.2	Very high	124 Å²	124	54 Å²	54	54%	0.539	32%	0.318	S	S	.	.			trans	-112	-16.8	-178.7	-64.1	-178.6	-178	176.4	0	113.5	Y296 N297 M298	K290-Y296 CarbonylContact O-C 3.55Å; K290-Y296 WeakPolarHBondContact O-CA 2.99Å; K290-N297 WeakPolarHBondContact O-CB 3.22Å; K290-N297 PolarHBondContact O-N 2.8Å; K290-M298 HydrophobicContact CD-SD 4.38Å
291	Y	98.3	Very high	96.2	Very high	4 Å²	4	52.1 Å²	52.1	2%	0.016	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	138.7	-173.7	-171.3	-93.1	0	0	0	111	K94 L135 N136 M137 Y175 Y177 Y182 S285 G294 I295 Y296	K94-Y291 WeakPolarHBondContact CD-OH 3.46Å; L135-Y291 WeakPolarHBondContact O-CE1 3.25Å; N136-Y291 PolarHBondContact OD1-O 3.37Å; M137-Y291 HydrophobicContact CB-CD1 4.15Å; M137-Y291 HydrophobicContact CB-CE1 4.43Å; M137-Y291 HydrophobicContact CE-CE1 4.13Å; M137-Y291 HydrophobicContact CG-CD1 3.58Å; M137-Y291 HydrophobicContact CG-CE1 3.39Å; M137-Y291 HydrophobicContact CG-CG 4.45Å; Y175-Y291 HydrophobicContact CE2-CD1 4.44Å; Y175-Y291 AromaticContact CE2-CG 3.92Å; Y175-Y291 HydrophobicContact CE2-CG 3.92Å; Y177-Y291 HydrophobicContact CE2-CE2 4.12Å; Y182-Y291 HydrophobicContact CE2-CE1 4.37Å; S285-Y291 WeakPolarHBondContact CB-O 3.47Å; Y291-G294 VanDerWaalsContact OH-CA 3.25Å; Y291-G294 WeakPolarHBondContact OH-CA 3.3Å; Y291-G294 PolarHBondContact OH-N 3.35Å; Y291-I295 WeakPolarHBondContact CA-O 3.44Å; Y291-Y296 AromaticContact CD2-CD1 3.96Å; Y291-Y296 HydrophobicContact CD2-CD1 3.96Å; Y291-Y296 HydrophobicContact CD2-CD2 4.2Å; Y291-Y296 AromaticContact CD2-CE1 3.63Å; Y291-Y296 HydrophobicContact CD2-CE1 3.63Å; Y291-Y296 AromaticContact CD2-CE2 3.9Å; Y291-Y296 HydrophobicContact CD2-CE2 3.9Å; Y291-Y296 HydrophobicContact CD2-CG 4.23Å; Y291-Y296 AromaticContact CD2-CZ 3.59Å; Y291-Y296 HydrophobicContact CE2-CE2 4.1Å; Y291-Y296 HydrophobicContact CG-CE1 4.36Å
292	A	98	Very high	96.2	Very high	1 Å²	1	51.9 Å²	51.9	1%	0.008	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	128.7	166.3	0	0	0	0	0	109.6	N136 G294 I295	N136-A292 WeakPolarHBondContact OD1-CA 3.49Å; N136-A292 WeakPolarHBondContact OD1-CB 3.48Å; A292-G294 PolarHBondContact O-N 2.95Å; A292-I295 PolarHBondContact N-O 3.46Å; A292-I295 WeakPolarHBondContact O-CG1 3.34Å; A292-I295 PolarHBondContact O-N 3.08Å; A292-I295 VanDerWaalsContact O-O 3.11Å
293	S	98.4	Very high	96.3	Very high	2 Å²	2	52.6 Å²	52.6	1%	0.014	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	52.3	46.9	162.3	-62.2	0	0	0	0	115.2	L135 Y182 L282	L135-S293 PolarHBondContact O-N 3.21Å; Y182-S293 WeakPolarHBondContact OH-CA 3.35Å; L282-S293 WeakPolarHBondContact CD1-OG 3.34Å; L282-S293 WeakPolarHBondContact O-CB 3.43Å; L282-S293 PolarHBondContact O-OG 3.26Å
294	G	97.9	Very high	96.3	Very high	1 Å²	1	52.1 Å²	52.1	1%	0.01	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	87.3	-3	178.4	0	0	0	0	0	116	Y182 Y291 A292 S304	Y182-G294 PolarHBondContact OH-N 3.05Å; Y291-G294 VanDerWaalsContact OH-CA 3.25Å; Y291-G294 WeakPolarHBondContact OH-CA 3.3Å; Y291-G294 PolarHBondContact OH-N 3.35Å; A292-G294 PolarHBondContact O-N 2.95Å; G294-S304 PolarHBondContact O-OG 2.76Å
295	I	97.7	Very high	96.4	Very high	3 Å²	3	51.4 Å²	51.4	2%	0.015	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	153.6	-179.4	66.1	171.7	0	0	0	112.5	F265 W283 Y291 A292 Y302	F265-I295 HydrophobicContact CE1-CG2 4.31Å; W283-I295 HydrophobicContact CB-CD1 4.01Å; W283-I295 HydrophobicContact CD2-CD1 3.47Å; W283-I295 VanDerWaalsContact CD2-CD1 3.47Å; W283-I295 HydrophobicContact CE3-CD1 4.07Å; W283-I295 HydrophobicContact CG-CD1 3.43Å; W283-I295 VanDerWaalsContact CG-CD1 3.43Å; W283-I295 HydrophobicContact CG-CG1 4.3Å; W283-I295 HydrophobicContact CZ2-CD1 4.31Å; Y291-I295 WeakPolarHBondContact CA-O 3.44Å; A292-I295 PolarHBondContact N-O 3.46Å; A292-I295 WeakPolarHBondContact O-CG1 3.34Å; A292-I295 PolarHBondContact O-N 3.08Å; A292-I295 VanDerWaalsContact O-O 3.11Å; I295-Y302 HydrophobicContact CD1-CD1 3.44Å; I295-Y302 VanDerWaalsContact CD1-CD1 3.44Å; I295-Y302 HydrophobicContact CD1-CE1 3.82Å; I295-Y302 HydrophobicContact CD1-CG 3.82Å; I295-Y302 HydrophobicContact CG1-CD1 4.32Å
296	Y	98	Very high	96.5	Very high	57 Å²	57	50.2 Å²	50.2	22%	0.224	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	119.9	168.5	-65.7	-87.5	0	0	0	109.4	Y175 K290 Y291 M298 Y302 H303	Y175-Y296 PolarHBondContact OH-OH 2.94Å; K290-Y296 CarbonylContact O-C 3.55Å; K290-Y296 WeakPolarHBondContact O-CA 2.99Å; Y291-Y296 AromaticContact CD2-CD1 3.96Å; Y291-Y296 HydrophobicContact CD2-CD1 3.96Å; Y291-Y296 HydrophobicContact CD2-CD2 4.2Å; Y291-Y296 AromaticContact CD2-CE1 3.63Å; Y291-Y296 HydrophobicContact CD2-CE1 3.63Å; Y291-Y296 AromaticContact CD2-CE2 3.9Å; Y291-Y296 HydrophobicContact CD2-CE2 3.9Å; Y291-Y296 HydrophobicContact CD2-CG 4.23Å; Y291-Y296 AromaticContact CD2-CZ 3.59Å; Y291-Y296 HydrophobicContact CE2-CE2 4.1Å; Y291-Y296 HydrophobicContact CG-CE1 4.36Å; Y296-M298 PolarHBondContact O-N 2.78Å; Y296-M298 VanDerWaalsContact O-N 3.17Å; Y296-Y302 WeakPolarHBondContact O-CA 3.3Å; Y296-H303 AromaticContact CD2-CD2 3.85Å; Y296-H303 PolarHBondContact N-O 3.24Å; Y296-H303 PolarHBondContact O-N 3.38Å
297	N	96.6	Very high	96.5	Very high	55 Å²	55	49.5 Å²	49.5	29%	0.294	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	89	170.8	-172.1	6.6	0	0	0	109.6	K290 Y302 K319	K290-N297 WeakPolarHBondContact O-CB 3.22Å; K290-N297 PolarHBondContact O-N 2.8Å; N297-Y302 HydrophobicContact CB-CD1 4.36Å; N297-Y302 HydrophobicContact CB-CE1 4.11Å; N297-K319 PolarHBondContact OD1-NZ 3.36Å
298	M	94.7	Very high	96.5	Very high	68 Å²	68	44.5 Å²	44.5	34%	0.335	24%	0.244	S	C	.	.			trans	-82.8	165.2	172.7	-51.5	-61.1	-78.4	0	0	110	K290 Y296 N300 N301 H303 K319	K290-M298 HydrophobicContact CD-SD 4.38Å; Y296-M298 PolarHBondContact O-N 2.78Å; Y296-M298 VanDerWaalsContact O-N 3.17Å; M298-N300 VanDerWaalsContact C-N 3.29Å; M298-N300 PolarHBondContact O-N 3.16Å; M298-N301 CarbonylContact C-O 3.46Å; M298-N301 WeakPolarHBondContact CA-O 3.32Å; M298-N301 VanDerWaalsContact CB-O 3.27Å; M298-N301 WeakPolarHBondContact CB-O 3.34Å; M298-N301 WeakPolarHBondContact CB-OD1 3.5Å; M298-N301 PolarHBondContact N-O 2.84Å; M298-N301 VanDerWaalsContact O-O 3.08Å; M298-H303 HydrophobicContact CG-CB 4.01Å; M298-K319 VanDerWaalsContact O-CE 3.29Å; M298-K319 WeakPolarHBondContact O-CE 3.26Å; M298-K319 PolarHBondContact O-NZ 2.91Å
299	T	91.8	Very high	96.5	Very high	135 Å²	135	40.9 Å²	40.9	83%	0.828	21%	0.205	S	C	*	.	S	Bend	trans	-51.6	-46.4	-177.3	-49.6	0	0	0	0	112.7
300	N	91.3	Very high	96.5	Very high	124 Å²	124	43.4 Å²	43.4	66%	0.663	21%	0.213	S	C	*	.	S	Bend	trans	-112.6	-11	-172.1	-62	-22.6	0	0	0	113.9	M298	M298-N300 VanDerWaalsContact C-N 3.29Å; M298-N300 PolarHBondContact O-N 3.16Å
301	N	96.5	Very high	96.5	Very high	22 Å²	22	37.5 Å²	37.5	12%	0.118	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	166.1	-171.7	69	-66.1	0	0	0	111.6	M298 D316 F317 K319 Y346	M298-N301 CarbonylContact C-O 3.46Å; M298-N301 WeakPolarHBondContact CA-O 3.32Å; M298-N301 VanDerWaalsContact CB-O 3.27Å; M298-N301 WeakPolarHBondContact CB-O 3.34Å; M298-N301 WeakPolarHBondContact CB-OD1 3.5Å; M298-N301 PolarHBondContact N-O 2.84Å; M298-N301 VanDerWaalsContact O-O 3.08Å; N301-D316 PolarHBondContact ND2-OD1 3.31Å; N301-F317 CarbonylContact C-O 3.58Å; N301-F317 WeakPolarHBondContact CA-O 3.48Å; N301-F317 WeakPolarHBondContact CB-O 3.39Å; N301-K319 VanDerWaalsContact C-NZ 3.34Å; N301-K319 PolarHBondContact O-NZ 3.21Å; N301-Y346 HydrophobicContact CB-CD1 4.29Å; N301-Y346 HydrophobicContact CB-CE1 3.4Å; N301-Y346 HydrophobicContact CB-CE2 4.46Å; N301-Y346 VanDerWaalsContact CB-CZ 3.49Å; N301-Y346 WeakPolarHBondContact CB-OH 3.43Å
302	Y	97.5	Very high	96.5	Very high	32 Å²	32	37.3 Å²	37.3	13%	0.125	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	144.2	159.8	-65.3	-64.9	0	0	0	109	W283 I295 Y296 N297 D316 F317 K319	W283-Y302 HydrophobicContact CE3-CD2 4.36Å; W283-Y302 HydrophobicContact CE3-CE1 4.47Å; W283-Y302 AromaticContact CE3-CE2 3.75Å; W283-Y302 HydrophobicContact CE3-CE2 3.75Å; W283-Y302 AromaticContact CE3-CZ 3.79Å; W283-Y302 HydrophobicContact CZ3-CD2 4.2Å; W283-Y302 AromaticContact CZ3-CE2 3.82Å; W283-Y302 HydrophobicContact CZ3-CE2 3.82Å; I295-Y302 HydrophobicContact CD1-CD1 3.44Å; I295-Y302 VanDerWaalsContact CD1-CD1 3.44Å; I295-Y302 HydrophobicContact CD1-CE1 3.82Å; I295-Y302 HydrophobicContact CD1-CG 3.82Å; I295-Y302 HydrophobicContact CG1-CD1 4.32Å; Y296-Y302 WeakPolarHBondContact O-CA 3.3Å; N297-Y302 HydrophobicContact CB-CD1 4.36Å; N297-Y302 HydrophobicContact CB-CE1 4.11Å; Y302-D316 WeakPolarHBondContact O-CA 3.46Å; Y302-F317 AromaticContact CD2-CD2 4Å; Y302-F317 HydrophobicContact CD2-CD2 4Å; Y302-F317 AromaticContact CD2-CE2 3.43Å; Y302-F317 HydrophobicContact CD2-CE2 3.43Å; Y302-F317 VanDerWaalsContact CD2-CE2 3.43Å; Y302-F317 AromaticContact CD2-CZ 3.97Å; Y302-F317 HydrophobicContact CD2-CZ 3.97Å; Y302-F317 HydrophobicContact CE2-CE2 4.43Å; Y302-F317 AromaticContact CG-CE2 3.89Å; Y302-F317 HydrophobicContact CG-CE2 3.89Å; Y302-F317 AromaticContact CG-CZ 3.96Å; Y302-F317 HydrophobicContact CG-CZ 3.96Å; Y302-F317 PolarHBondContact N-O 3.18Å; Y302-F317 PolarHBondContact O-N 2.86Å; Y302-K319 HydrophobicContact CD1-CD 4.43Å; Y302-K319 HydrophobicContact CD2-CD 3.81Å; Y302-K319 HydrophobicContact CE1-CD 4.1Å; Y302-K319 HydrophobicContact CE2-CB 4.43Å; Y302-K319 HydrophobicContact CE2-CD 3.42Å; Y302-K319 VanDerWaalsContact CE2-CD 3.42Å; Y302-K319 HydrophobicContact CG-CD 4.32Å
303	H	97.7	Very high	96.5	Very high	19 Å²	19	37.3 Å²	37.3	9%	0.088	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	134.4	177.9	172.1	73.1	0	0	0	109.3	Y296 M298 V315 D316 N339	Y296-H303 AromaticContact CD2-CD2 3.85Å; Y296-H303 PolarHBondContact N-O 3.24Å; Y296-H303 PolarHBondContact O-N 3.38Å; M298-H303 HydrophobicContact CG-CB 4.01Å; H303-V315 CarbonylContact C-O 3.59Å; H303-V315 WeakPolarHBondContact CA-O 3.34Å; H303-D316 WeakPolarHBondContact CA-OD1 3.34Å; H303-D316 VanDerWaalsContact CB-OD1 3.31Å; H303-D316 WeakPolarHBondContact CB-OD1 3.25Å; H303-D316 IonicContact CE1-OD1 3.16Å; H303-D316 IonicContact CG-OD1 3.21Å; H303-D316 IonicContact ND1-OD1 2.7Å; H303-D316 PolarHBondContact ND1-OD1 2.8Å; H303-N339 PolarHBondContact CE1-OD1 3.02Å; H303-N339 PolarHBondContact NE2-OD1 3.41Å
304	S	97.9	Very high	96.5	Very high	2 Å²	2	37.2 Å²	37.2	1%	0.014	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	140	168.7	-165.5	0	0	0	0	109.5	G294 L314 V315	G294-S304 PolarHBondContact O-OG 2.76Å; S304-L314 WeakPolarHBondContact O-CA 3.37Å; S304-V315 PolarHBondContact N-O 3.27Å; S304-V315 PolarHBondContact O-N 3.04Å
305	R	97.5	Very high	96.5	Very high	88 Å²	88	37.2 Å²	37.2	33%	0.332	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	137.3	-179.9	-176.5	176.2	-176.5	-132.6	3.3	110.7	S91 E312 A313 L314 N339	S91-R305 WeakPolarHBondContact CB-O 3.36Å; R305-E312 IonicContact CZ-OE1 2.76Å; R305-E312 IonicContact NE-OE1 2.69Å; R305-E312 PolarHBondContact NE-OE1 2.81Å; R305-E312 IonicContact NH2-OE1 3.73Å; R305-E312 PolarHBondContact NH2-OE1 3.44Å; R305-A313 CarbonylContact C-O 3.5Å; R305-A313 VanDerWaalsContact CA-O 3.29Å; R305-A313 WeakPolarHBondContact CA-O 3.24Å; R305-L314 HydrophobicContact CB-CD2 3.91Å; R305-L314 HydrophobicContact CG-CD2 3.59Å; R305-L314 HydrophobicContact CG-CG 4.36Å; R305-N339 WeakPolarHBondContact CD-OD1 3.5Å
306	G	97.7	Very high	96.5	Very high	1 Å²	1	37.1 Å²	37.1	1%	0.01	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	132.6	170.8	0	0	0	0	0	110.5	I89 E312 A313	I89-G306 WeakPolarHBondContact O-CA 3.29Å; G306-E312 CarbonylContact O-C 3.47Å; G306-E312 VanDerWaalsContact O-CA 3.32Å; G306-E312 WeakPolarHBondContact O-CA 3.37Å; G306-A313 PolarHBondContact N-O 3.31Å; G306-A313 PolarHBondContact O-N 3.47Å
307	V	96.4	Very high	96.4	Very high	43 Å²	43	34.6 Å²	34.6	26%	0.261	18%	0.175	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	121.9	169.5	178.1	0	0	0	0	106.7	F311 E312 W332	V307-F311 WeakPolarHBondContact CA-O 3.39Å; V307-E312 HydrophobicContact CG2-CB 4.39Å; V307-E312 HydrophobicContact CG2-CG 4.04Å; V307-W332 HydrophobicContact CG1-CD2 3.75Å; V307-W332 HydrophobicContact CG1-CE3 3.93Å; V307-W332 HydrophobicContact CG1-CG 4.38Å; V307-W332 HydrophobicContact CG1-CH2 3.91Å; V307-W332 HydrophobicContact CG1-CZ2 3.77Å; V307-W332 HydrophobicContact CG1-CZ3 4.01Å
308	K	95.5	Very high	96.4	Very high	24 Å²	24	32.5 Å²	32.5	10%	0.104	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	140.6	173.5	-175.7	63.3	176.3	-162	0	108.7	S244 Y245 D247 E248 R310 F311	S244-K308 WeakPolarHBondContact O-CE 3.4Å; S244-K308 PolarHBondContact O-NZ 2.85Å; Y245-K308 HydrophobicContact CD1-CG 4.43Å; D247-K308 IonicContact OD1-NZ 2.87Å; D247-K308 PolarHBondContact OD1-NZ 2.96Å; E248-K308 HydrophobicContact CG-CD 3.78Å; E248-K308 HydrophobicContact CG-CG 4.32Å; E248-K308 WeakPolarHBondContact OE1-CE 3.44Å; E248-K308 IonicContact OE1-NZ 3.69Å; E248-K308 PolarHBondContact OE1-NZ 3.13Å; K308-R310 PolarHBondContact O-N 2.85Å; K308-F311 PolarHBondContact N-O 3.41Å; K308-F311 WeakPolarHBondContact O-CA 3.31Å; K308-F311 WeakPolarHBondContact O-CB 3.29Å; K308-F311 WeakPolarHBondContact O-CD2 3.07Å; K308-F311 PolarHBondContact O-N 3.05Å
309	A	94.1	Very high	96.4	Very high	15 Å²	15	32.5 Å²	32.5	12%	0.124	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.4	32.4	170.3	0	0	0	0	0	114.5	S227 T240 Y245 F311	S227-A309 WeakPolarHBondContact CB-O 3.2Å; T240-A309 HydrophobicContact CG2-CB 3.62Å; T240-A309 WeakPolarHBondContact OG1-CB 3.34Å; Y245-A309 HydrophobicContact CD1-CB 4.26Å; Y245-A309 HydrophobicContact CE1-CB 3.33Å; Y245-A309 HydrophobicContact CE2-CB 4.41Å; Y245-A309 VanDerWaalsContact CZ-CB 3.43Å; Y245-A309 VanDerWaalsContact OH-CB 3.29Å; Y245-A309 WeakPolarHBondContact OH-CB 3.35Å; A309-F311 HydrophobicContact CB-CD2 4.08Å; A309-F311 HydrophobicContact CB-CE2 4.42Å; A309-F311 WeakPolarHBondContact O-CD2 3.46Å; A309-F311 PolarHBondContact O-N 2.63Å
310	R	95.6	Very high	96.5	Very high	91 Å²	91	29.8 Å²	29.8	34%	0.343	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	65.6	16.2	-174.3	-51	163.5	172.4	77.9	2.2	115.6	Y228 S229 A238 K308 N330 V331 W332	Y228-R310 WeakPolarHBondContact O-CB 3.46Å; S229-R310 VanDerWaalsContact OG-CD 3.3Å; S229-R310 WeakPolarHBondContact OG-CD 3.38Å; S229-R310 PolarHBondContact OG-NE 2.9Å; A238-R310 VanDerWaalsContact CB-NE 3.3Å; K308-R310 PolarHBondContact O-N 2.85Å; R310-N330 CarbonylContact O-C 3.58Å; R310-V331 CarbonylContact O-C 3.5Å; R310-W332 HydrophobicContact CB-CB 4.34Å; R310-W332 WeakPolarHBondContact CB-O 3.41Å; R310-W332 VanDerWaalsContact O-CB 3.25Å; R310-W332 WeakPolarHBondContact O-CB 3.48Å; R310-W332 PolarHBondContact O-N 3Å
311	F	97.1	Very high	96.7	Very high	0 Å²	0	24 Å²	24	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	149	159.9	-63.1	-94.5	0	0	0	109.7	Y87 C88 A225 Y245 F255 V307 K308 A309 S329 N330	Y87-F311 AromaticContact CD1-CD1 3.97Å; Y87-F311 HydrophobicContact CD1-CD1 3.97Å; Y87-F311 HydrophobicContact CD1-CE1 4.12Å; Y87-F311 HydrophobicContact CG-CD1 4.45Å; C88-F311 HydrophobicContact CB-CB 4.02Å; C88-F311 HydrophobicContact CB-CD1 4.33Å; C88-F311 HydrophobicContact CB-CD2 3.64Å; C88-F311 HydrophobicContact CB-CE2 4.21Å; C88-F311 HydrophobicContact CB-CG 3.72Å; C88-F311 VanDerWaalsContact O-CB 3.24Å; C88-F311 WeakPolarHBondContact O-CB 3.23Å; A225-F311 HydrophobicContact CB-CE1 3.92Å; A225-F311 HydrophobicContact CB-CZ 4.45Å; A225-F311 VanDerWaalsContact O-CZ 3.3Å; A225-F311 WeakPolarHBondContact O-CZ 3.04Å; Y245-F311 VanDerWaalsContact OH-CE2 3.28Å; Y245-F311 WeakPolarHBondContact OH-CE2 3.13Å; F255-F311 HydrophobicContact CE1-CE1 4.5Å; F255-F311 HydrophobicContact CE1-CE2 4.41Å; F255-F311 HydrophobicContact CE1-CZ 4.13Å; V307-F311 WeakPolarHBondContact CA-O 3.39Å; K308-F311 PolarHBondContact N-O 3.41Å; K308-F311 WeakPolarHBondContact O-CA 3.31Å; K308-F311 WeakPolarHBondContact O-CB 3.29Å; K308-F311 WeakPolarHBondContact O-CD2 3.07Å; K308-F311 PolarHBondContact O-N 3.05Å; A309-F311 HydrophobicContact CB-CD2 4.08Å; A309-F311 HydrophobicContact CB-CE2 4.42Å; A309-F311 WeakPolarHBondContact O-CD2 3.46Å; A309-F311 PolarHBondContact O-N 2.63Å; F311-S329 WeakPolarHBondContact CA-O 3.3Å; F311-S329 WeakPolarHBondContact CD1-O 3.36Å; F311-N330 HydrophobicContact CD1-CB 3.8Å; F311-N330 HydrophobicContact CE1-CB 3.45Å; F311-N330 VanDerWaalsContact CE1-CB 3.45Å; F311-N330 HydrophobicContact CZ-CB 4.27Å
312	E	97.8	Very high	96.6	Very high	1 Å²	1	24.2 Å²	24.2	1%	0.005	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	120.6	168.4	-177.9	170.5	-145.1	0	0	109.3	R305 G306 V307 L314 S329 W332 G337 Y338	R305-E312 IonicContact CZ-OE1 2.76Å; R305-E312 IonicContact NE-OE1 2.69Å; R305-E312 PolarHBondContact NE-OE1 2.81Å; R305-E312 IonicContact NH2-OE1 3.73Å; R305-E312 PolarHBondContact NH2-OE1 3.44Å; G306-E312 CarbonylContact O-C 3.47Å; G306-E312 VanDerWaalsContact O-CA 3.32Å; G306-E312 WeakPolarHBondContact O-CA 3.37Å; V307-E312 HydrophobicContact CG2-CB 4.39Å; V307-E312 HydrophobicContact CG2-CG 4.04Å; E312-L314 HydrophobicContact CG-CD1 3.92Å; E312-L314 HydrophobicContact CG-CG 4.07Å; E312-S329 PolarHBondContact N-O 3.03Å; E312-S329 PolarHBondContact O-N 3.14Å; E312-W332 HydrophobicContact CB-CG 4.39Å; E312-W332 VanDerWaalsContact OE2-CD1 3.31Å; E312-G337 VanDerWaalsContact OE2-CA 3.23Å; E312-G337 WeakPolarHBondContact OE2-CA 3.21Å; E312-Y338 WeakPolarHBondContact OE2-CD2 3.27Å; E312-Y338 PolarHBondContact OE2-N 2.91Å
313	A	98.5	Very high	96.6	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	131.3	172.7	0	0	0	0	0	109.4	I89 V92 R305 G306 L328	I89-A313 HydrophobicContact CB-CB 4.12Å; I89-A313 HydrophobicContact CG2-CB 4.34Å; V92-A313 HydrophobicContact CG2-CB 3.84Å; R305-A313 CarbonylContact C-O 3.5Å; R305-A313 VanDerWaalsContact CA-O 3.29Å; R305-A313 WeakPolarHBondContact CA-O 3.24Å; G306-A313 PolarHBondContact N-O 3.31Å; G306-A313 PolarHBondContact O-N 3.47Å; A313-L328 HydrophobicContact CB-CD2 3.5Å; A313-L328 VanDerWaalsContact CB-CD2 3.5Å
314	L	98.2	Very high	96.6	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	131.8	-178.6	-73	156.5	0	0	0	109.1	S304 R305 E312 I326 L327 Y338 N339 V342	S304-L314 WeakPolarHBondContact O-CA 3.37Å; R305-L314 HydrophobicContact CB-CD2 3.91Å; R305-L314 HydrophobicContact CG-CD2 3.59Å; R305-L314 HydrophobicContact CG-CG 4.36Å; E312-L314 HydrophobicContact CG-CD1 3.92Å; E312-L314 HydrophobicContact CG-CG 4.07Å; L314-I326 WeakPolarHBondContact O-CA 3.44Å; L314-L327 HydrophobicContact CB-CB 4.49Å; L314-L327 HydrophobicContact CD1-CD2 4.33Å; L314-L327 PolarHBondContact N-O 3.18Å; L314-L327 PolarHBondContact O-N 3.11Å; L314-Y338 VanDerWaalsContact CD1-C 3.43Å; L314-N339 HydrophobicContact CD2-CB 4.13Å; L314-N339 VanDerWaalsContact CD2-OD1 3.3Å; L314-N339 WeakPolarHBondContact CD2-OD1 3.47Å; L314-V342 HydrophobicContact CB-CB 4.24Å; L314-V342 HydrophobicContact CB-CG1 4.1Å; L314-V342 HydrophobicContact CB-CG2 3.89Å; L314-V342 HydrophobicContact CD1-CB 4.14Å; L314-V342 HydrophobicContact CD1-CG2 3.6Å; L314-V342 HydrophobicContact CG-CG2 4.32Å
315	V	98.1	Very high	96.6	Very high	2 Å²	2	22.4 Å²	22.4	1%	0.012	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	114.5	-179.8	-174	0	0	0	0	108.1	V92 L261 F265 H303 S304 F317 I325 I326	V92-V315 HydrophobicContact CG1-CG2 4.45Å; L261-V315 HydrophobicContact CD2-CG2 3.59Å; L261-V315 HydrophobicContact CG-CG2 4.23Å; F265-V315 HydrophobicContact CD2-CG1 3.7Å; F265-V315 HydrophobicContact CE2-CB 4.03Å; F265-V315 HydrophobicContact CE2-CG1 3.47Å; F265-V315 VanDerWaalsContact CE2-CG1 3.47Å; F265-V315 HydrophobicContact CE2-CG2 3.82Å; F265-V315 HydrophobicContact CG-CG1 4.39Å; F265-V315 HydrophobicContact CZ-CB 4.35Å; F265-V315 HydrophobicContact CZ-CG1 3.94Å; F265-V315 HydrophobicContact CZ-CG2 4.43Å; H303-V315 CarbonylContact C-O 3.59Å; H303-V315 WeakPolarHBondContact CA-O 3.34Å; S304-V315 PolarHBondContact N-O 3.27Å; S304-V315 PolarHBondContact O-N 3.04Å; V315-F317 HydrophobicContact CG1-CD1 3.74Å; V315-F317 HydrophobicContact CG1-CE1 4.16Å; V315-I325 WeakPolarHBondContact CA-O 3.43Å; V315-I326 HydrophobicContact CG1-CG1 3.96Å; V315-I326 HydrophobicContact CG2-CG1 4.25Å
316	D	97.8	Very high	96.6	Very high	1 Å²	1	18.3 Å²	18.3	1%	0.005	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	128.8	169.4	-80.1	-14	0	0	0	109.2	N301 Y302 H303 G324 I325 V342 Y346	N301-D316 PolarHBondContact ND2-OD1 3.31Å; Y302-D316 WeakPolarHBondContact O-CA 3.46Å; H303-D316 WeakPolarHBondContact CA-OD1 3.34Å; H303-D316 VanDerWaalsContact CB-OD1 3.31Å; H303-D316 WeakPolarHBondContact CB-OD1 3.25Å; H303-D316 IonicContact CE1-OD1 3.16Å; H303-D316 IonicContact CG-OD1 3.21Å; H303-D316 IonicContact ND1-OD1 2.7Å; H303-D316 PolarHBondContact ND1-OD1 2.8Å; D316-G324 CarbonylContact O-C 3.58Å; D316-G324 WeakPolarHBondContact O-CA 3.49Å; D316-I325 HydrophobicContact CB-CG2 3.97Å; D316-I325 PolarHBondContact N-O 3.33Å; D316-I325 PolarHBondContact O-N 3.03Å; D316-V342 HydrophobicContact CB-CG1 4.39Å; D316-Y346 HydrophobicContact CB-CD1 4.32Å; D316-Y346 HydrophobicContact CB-CD2 3.61Å; D316-Y346 HydrophobicContact CB-CE2 4.29Å; D316-Y346 HydrophobicContact CB-CG 3.62Å
317	F	97.1	Very high	96.7	Very high	4 Å²	4	18.2 Å²	18.2	2%	0.018	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	148.9	178.2	60.6	-81.4	0	0	0	113.1	F59 F265 Y269 W283 N301 Y302 V315 N323	F59-F317 HydrophobicContact CZ-CB 4.08Å; F265-F317 HydrophobicContact CD1-CD1 4.32Å; F265-F317 AromaticContact CD1-CE1 3.59Å; F265-F317 HydrophobicContact CD1-CE1 3.59Å; F265-F317 HydrophobicContact CD1-CE2 4.38Å; F265-F317 AromaticContact CD1-CZ 3.63Å; F265-F317 HydrophobicContact CD1-CZ 3.63Å; F265-F317 HydrophobicContact CE1-CD1 4.47Å; F265-F317 AromaticContact CE1-CE1 3.5Å; F265-F317 HydrophobicContact CE1-CE1 3.5Å; F265-F317 VanDerWaalsContact CE1-CE1 3.5Å; F265-F317 AromaticContact CE1-CZ 3.73Å; F265-F317 HydrophobicContact CE1-CZ 3.73Å; F265-F317 HydrophobicContact CG-CE1 4.34Å; F265-F317 HydrophobicContact CZ-CE1 4.2Å; Y269-F317 HydrophobicContact CE2-CD2 4.11Å; Y269-F317 AromaticContact CE2-CE2 3.94Å; Y269-F317 HydrophobicContact CE2-CE2 3.94Å; Y269-F317 WeakPolarHBondContact OH-CE2 3.48Å; W283-F317 AromaticContact CH2-CE2 3.93Å; W283-F317 HydrophobicContact CH2-CE2 3.93Å; W283-F317 HydrophobicContact CH2-CZ 4.19Å; W283-F317 HydrophobicContact CZ3-CE2 4.21Å; N301-F317 CarbonylContact C-O 3.58Å; N301-F317 WeakPolarHBondContact CA-O 3.48Å; N301-F317 WeakPolarHBondContact CB-O 3.39Å; Y302-F317 AromaticContact CD2-CD2 4Å; Y302-F317 HydrophobicContact CD2-CD2 4Å; Y302-F317 AromaticContact CD2-CE2 3.43Å; Y302-F317 HydrophobicContact CD2-CE2 3.43Å; Y302-F317 VanDerWaalsContact CD2-CE2 3.43Å; Y302-F317 AromaticContact CD2-CZ 3.97Å; Y302-F317 HydrophobicContact CD2-CZ 3.97Å; Y302-F317 HydrophobicContact CE2-CE2 4.43Å; Y302-F317 AromaticContact CG-CE2 3.89Å; Y302-F317 HydrophobicContact CG-CE2 3.89Å; Y302-F317 AromaticContact CG-CZ 3.96Å; Y302-F317 HydrophobicContact CG-CZ 3.96Å; Y302-F317 PolarHBondContact N-O 3.18Å; Y302-F317 PolarHBondContact O-N 2.86Å; V315-F317 HydrophobicContact CG1-CD1 3.74Å; V315-F317 HydrophobicContact CG1-CE1 4.16Å; F317-N323 CarbonylContact C-O 3.49Å; F317-N323 VanDerWaalsContact CA-O 3.23Å; F317-N323 WeakPolarHBondContact CA-O 3.36Å
318	S	96.7	Very high	96.8	Very high	10 Å²	10	16.2 Å²	16.2	7%	0.07	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	157.6	178.6	58	0	0	0	0	111.6	Y269 D320 G321 Q322 N323 Y346	Y269-S318 PolarHBondContact OH-O 2.83Å; S318-D320 VanDerWaalsContact CB-OD1 3.29Å; S318-D320 WeakPolarHBondContact CB-OD1 3.48Å; S318-D320 PolarHBondContact O-N 2.76Å; S318-D320 VanDerWaalsContact O-N 3.15Å; S318-D320 PolarHBondContact OG-OD1 3.43Å; S318-G321 PolarHBondContact O-N 3.15Å; S318-Q322 PolarHBondContact OG-N 2.92Å; S318-N323 PolarHBondContact N-O 3.49Å; S318-N323 PolarHBondContact OG-N 3.34Å; S318-N323 PolarHBondContact OG-O 3.13Å; S318-Y346 VanDerWaalsContact CA-OH 3.22Å; S318-Y346 WeakPolarHBondContact CA-OH 3.45Å; S318-Y346 PolarHBondContact N-OH 2.92Å
319	K	94.2	Very high	96.9	Very high	68 Å²	68	15 Å²	15	30%	0.296	7%	0.072	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59	-30.6	-177.1	-62.1	-59.8	-177.6	-169.9	0	113.4	Y269 N297 M298 N301 Y302	Y269-K319 VanDerWaalsContact CE1-O 3.3Å; Y269-K319 WeakPolarHBondContact CE1-O 3.47Å; Y269-K319 PolarHBondContact OH-O 3.28Å; N297-K319 PolarHBondContact OD1-NZ 3.36Å; M298-K319 VanDerWaalsContact O-CE 3.29Å; M298-K319 WeakPolarHBondContact O-CE 3.26Å; M298-K319 PolarHBondContact O-NZ 2.91Å; N301-K319 VanDerWaalsContact C-NZ 3.34Å; N301-K319 PolarHBondContact O-NZ 3.21Å; Y302-K319 HydrophobicContact CD1-CD 4.43Å; Y302-K319 HydrophobicContact CD2-CD 3.81Å; Y302-K319 HydrophobicContact CE1-CD 4.1Å; Y302-K319 HydrophobicContact CE2-CB 4.43Å; Y302-K319 HydrophobicContact CE2-CD 3.42Å; Y302-K319 VanDerWaalsContact CE2-CD 3.42Å; Y302-K319 HydrophobicContact CG-CD 4.32Å
320	D	93.6	Very high	97	Very high	79 Å²	79	14.3 Å²	14.3	42%	0.422	7%	0.067	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.9	-3.4	175.6	65	-1.9	0	0	0	113.9	K22 S318 Q322	K22-D320 PolarHBondContact NZ-O 2.98Å; S318-D320 VanDerWaalsContact CB-OD1 3.29Å; S318-D320 WeakPolarHBondContact CB-OD1 3.48Å; S318-D320 PolarHBondContact O-N 2.76Å; S318-D320 VanDerWaalsContact O-N 3.15Å; S318-D320 PolarHBondContact OG-OD1 3.43Å; D320-Q322 VanDerWaalsContact C-N 3.25Å; D320-Q322 HydrophobicContact CB-CG 4.28Å; D320-Q322 PolarHBondContact O-N 2.69Å; D320-Q322 PolarHBondContact OD1-N 3.44Å; D320-Q322 VanDerWaalsContact OD1-N 3.1Å
321	G	94.5	Very high	97	Very high	1 Å²	1	10.2 Å²	10.2	1%	0.01	5%	0.051	C	C	.	.	S	Bend	trans	74.5	7.1	179.6	0	0	0	0	0	115.1	F59 Q266 Y269 S318	F59-G321 WeakPolarHBondContact CE2-O 3.08Å; Q266-G321 PolarHBondContact NE2-O 2.92Å; Y269-G321 VanDerWaalsContact CE2-CA 3.5Å; Y269-G321 PolarHBondContact OH-N 2.75Å; S318-G321 PolarHBondContact O-N 3.15Å
322	Q	95.2	Very high	96.9	Very high	28 Å²	28	12.2 Å²	12.2	13%	0.131	6%	0.059	C	C	.	.	S	Bend	trans	-87.9	-21.9	-173	-63.4	-61.2	102	0	0	114.1	K22 F59 Q60 H61 G62 S318 D320	K22-Q322 VanDerWaalsContact CD-OE1 3.26Å; F59-Q322 WeakPolarHBondContact CD2-O 3.43Å; Q60-Q322 CarbonylContact C-O 3.52Å; H61-Q322 PolarHBondContact N-O 3.11Å; G62-Q322 PolarHBondContact N-O 3.35Å; S318-Q322 PolarHBondContact OG-N 2.92Å; D320-Q322 VanDerWaalsContact C-N 3.25Å; D320-Q322 HydrophobicContact CB-CG 4.28Å; D320-Q322 PolarHBondContact O-N 2.69Å; D320-Q322 PolarHBondContact OD1-N 3.44Å; D320-Q322 VanDerWaalsContact OD1-N 3.1Å
323	N	97.1	Very high	96.3	Very high	14 Å²	14	14.4 Å²	14.4	8%	0.075	7%	0.072	C	C	.	.	S	Bend	trans	-129.2	140.2	-178	-56.9	-70	0	0	0	109.3	F59 Q60 H61 F317 S318 V349 V350	F59-N323 CarbonylContact O-C 3.52Å; F59-N323 WeakPolarHBondContact O-CA 3.49Å; Q60-N323 VanDerWaalsContact CA-OD1 3.3Å; Q60-N323 WeakPolarHBondContact CA-OD1 3.27Å; H61-N323 PolarHBondContact N-OD1 3.29Å; F317-N323 CarbonylContact C-O 3.49Å; F317-N323 VanDerWaalsContact CA-O 3.23Å; F317-N323 WeakPolarHBondContact CA-O 3.36Å; S318-N323 PolarHBondContact N-O 3.49Å; S318-N323 PolarHBondContact OG-N 3.34Å; S318-N323 PolarHBondContact OG-O 3.13Å; N323-V349 HydrophobicContact CB-CG1 4.32Å; N323-V350 HydrophobicContact CB-CG1 4.16Å
324	G	97.6	Very high	95.6	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	176.7	174.5	177.9	0	0	0	0	0	115.3	F59 D316	F59-G324 WeakPolarHBondContact CD1-O 3.23Å; F59-G324 VanDerWaalsContact CE2-N 3.31Å; F59-G324 VanDerWaalsContact CZ-CA 3.41Å; F59-G324 PolarHBondContact N-O 3.37Å; F59-G324 PolarHBondContact O-N 3.47Å; D316-G324 CarbonylContact O-C 3.58Å; D316-G324 WeakPolarHBondContact O-CA 3.49Å
325	I	98.1	Very high	94.7	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	134.8	178	-179.1	166.8	0	0	0	109	I43 V56 L57 V58 V315 D316 V342 L345 Y346	I43-I325 HydrophobicContact CG2-CD1 4.44Å; V56-I325 HydrophobicContact CG2-CD1 4.09Å; V56-I325 HydrophobicContact CG2-CG1 4.14Å; L57-I325 CarbonylContact O-C 3.49Å; L57-I325 WeakPolarHBondContact O-CA 3.4Å; V58-I325 HydrophobicContact CG2-CD1 4.15Å; V58-I325 HydrophobicContact CG2-CG1 4.09Å; V315-I325 WeakPolarHBondContact CA-O 3.43Å; D316-I325 HydrophobicContact CB-CG2 3.97Å; D316-I325 PolarHBondContact N-O 3.33Å; D316-I325 PolarHBondContact O-N 3.03Å; I325-V342 HydrophobicContact CG2-CG1 3.8Å; I325-L345 HydrophobicContact CD1-CB 3.78Å; I325-L345 HydrophobicContact CD1-CD1 3.92Å; I325-Y346 HydrophobicContact CG2-CD2 4.23Å
326	I	98.3	Very high	93.7	Very high	2 Å²	2	33.9 Å²	33.9	1%	0.01	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	126.3	170.2	-66.1	169.8	0	0	0	106.9	V56 L57 L261 Y262 L314 V315 L328	V56-I326 CarbonylContact C-O 3.55Å; V56-I326 WeakPolarHBondContact CA-O 3.41Å; L57-I326 HydrophobicContact CB-CB 4.37Å; L57-I326 PolarHBondContact N-O 3.01Å; L57-I326 PolarHBondContact O-N 2.92Å; L261-I326 HydrophobicContact CB-CD1 4.38Å; L261-I326 HydrophobicContact CD2-CG2 3.98Å; L261-I326 HydrophobicContact CG-CD1 4.42Å; Y262-I326 VanDerWaalsContact CA-CD1 3.42Å; Y262-I326 VanDerWaalsContact N-CD1 3.35Å; L314-I326 WeakPolarHBondContact O-CA 3.44Å; V315-I326 HydrophobicContact CG1-CG1 3.96Å; V315-I326 HydrophobicContact CG2-CG1 4.25Å; I326-L328 HydrophobicContact CG2-CD2 4.12Å; I326-L328 HydrophobicContact CG2-CG 4.02Å
327	L	98.3	Very high	93.2	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	119.9	176.2	-174.3	149.4	0	0	0	108.8	L47 F52 L314 Y338 V342	L47-L327 HydrophobicContact CD2-CD1 3.71Å; F52-L327 HydrophobicContact CD2-CD1 4.5Å; F52-L327 HydrophobicContact CD2-CD2 4.47Å; F52-L327 HydrophobicContact CE2-CD1 4.06Å; F52-L327 HydrophobicContact CE2-CD2 3.57Å; F52-L327 HydrophobicContact CE2-CG 3.77Å; F52-L327 HydrophobicContact CZ-CD1 4.2Å; F52-L327 HydrophobicContact CZ-CD2 4Å; F52-L327 HydrophobicContact CZ-CG 3.74Å; L314-L327 HydrophobicContact CB-CB 4.49Å; L314-L327 HydrophobicContact CD1-CD2 4.33Å; L314-L327 PolarHBondContact N-O 3.18Å; L314-L327 PolarHBondContact O-N 3.11Å; L327-Y338 HydrophobicContact CD2-CD2 4.09Å; L327-Y338 HydrophobicContact CD2-CG 3.9Å; L327-V342 HydrophobicContact CB-CG2 3.74Å; L327-V342 HydrophobicContact CD1-CG2 3.78Å; L327-V342 HydrophobicContact CD2-CG2 4.36Å; L327-V342 HydrophobicContact CG-CG2 4.17Å
328	L	98.6	Very high	92.9	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	114.2	-179.7	-55.4	-178.4	0	0	0	108.9	G54 T55 Y87 I89 L261 A313 I326	G54-L328 CarbonylContact C-O 3.56Å; G54-L328 WeakPolarHBondContact CA-O 3.46Å; T55-L328 PolarHBondContact N-O 3.34Å; T55-L328 PolarHBondContact O-N 3.02Å; Y87-L328 HydrophobicContact CD1-CB 4.31Å; Y87-L328 HydrophobicContact CD2-CB 3.56Å; Y87-L328 HydrophobicContact CD2-CD1 3.82Å; Y87-L328 HydrophobicContact CD2-CG 4.35Å; Y87-L328 HydrophobicContact CE2-CB 4.1Å; Y87-L328 HydrophobicContact CG-CB 3.7Å; Y87-L328 HydrophobicContact CG-CD1 4.45Å; I89-L328 HydrophobicContact CG2-CD2 4.46Å; L261-L328 HydrophobicContact CD2-CD2 3.88Å; A313-L328 HydrophobicContact CB-CD2 3.5Å; A313-L328 VanDerWaalsContact CB-CD2 3.5Å; I326-L328 HydrophobicContact CG2-CD2 4.12Å; I326-L328 HydrophobicContact CG2-CG 4.02Å
329	S	97.9	Very high	92.6	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	141.9	179.5	-176.1	0	0	0	0	110.9	S53 F311 E312 V331 Y338	S53-S329 PolarHBondContact O-OG 3.02Å; F311-S329 WeakPolarHBondContact CA-O 3.3Å; F311-S329 WeakPolarHBondContact CD1-O 3.36Å; E312-S329 PolarHBondContact N-O 3.03Å; E312-S329 PolarHBondContact O-N 3.14Å; S329-V331 PolarHBondContact OG-N 3.16Å; S329-V331 PolarHBondContact OG-O 3.42Å; S329-Y338 WeakPolarHBondContact OG-CE2 3.29Å
330	N	97.3	Very high	92.4	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.208	C	C	.	.	S	Bend	trans	-103.7	14.6	165.1	68.8	-35.6	0	0	0	113.1	S53 W72 N81 Y87 A225 L226 Y228 R310 F311	S53-N330 PolarHBondContact O-OD1 3.38Å; S53-N330 PolarHBondContact OG-OD1 3Å; W72-N330 PolarHBondContact O-ND2 3.48Å; N81-N330 PolarHBondContact ND2-OD1 3.28Å; Y87-N330 HydrophobicContact CD1-CB 3.8Å; Y87-N330 HydrophobicContact CE1-CB 3.77Å; A225-N330 HydrophobicContact CB-CB 4.01Å; L226-N330 WeakPolarHBondContact O-CB 3.31Å; L226-N330 PolarHBondContact O-ND2 2.74Å; Y228-N330 WeakPolarHBondContact CD2-ND2 3.23Å; Y228-N330 WeakPolarHBondContact CE2-ND2 3.44Å; Y228-N330 PolarHBondContact N-O 3.34Å; R310-N330 CarbonylContact O-C 3.58Å; F311-N330 HydrophobicContact CD1-CB 3.8Å; F311-N330 HydrophobicContact CE1-CB 3.45Å; F311-N330 VanDerWaalsContact CE1-CB 3.45Å; F311-N330 HydrophobicContact CZ-CB 4.27Å
331	V	95.5	Very high	92.3	Very high	4 Å²	4	36.7 Å²	36.7	2%	0.024	20%	0.195	C	C	.	.	B	Isolated β-bridge	trans	-125.5	122.5	175.5	-166.2	0	0	0	0	109.2	Y228 E230 P235 R310 S329	Y228-V331 WeakPolarHBondContact O-CA 3.18Å; E230-V331 HydrophobicContact CB-CG1 4.38Å; E230-V331 HydrophobicContact CG-CG1 3.63Å; P235-V331 HydrophobicContact CB-CG1 4.11Å; P235-V331 HydrophobicContact CB-CG2 4Å; P235-V331 HydrophobicContact CG-CG1 4.23Å; P235-V331 HydrophobicContact CG-CG2 3.97Å; R310-V331 CarbonylContact O-C 3.5Å; S329-V331 PolarHBondContact OG-N 3.16Å; S329-V331 PolarHBondContact OG-O 3.42Å
332	W	93.9	Very high	92.2	Very high	43 Å²	43	36.6 Å²	36.6	16%	0.163	20%	0.195	C	C	.	.			trans	-159.2	139.8	176.5	-174.2	90.1	0	0	0	112.4	Y228 V307 R310 E312 Q334 K336	Y228-W332 PolarHBondContact O-N 2.94Å; V307-W332 HydrophobicContact CG1-CD2 3.75Å; V307-W332 HydrophobicContact CG1-CE3 3.93Å; V307-W332 HydrophobicContact CG1-CG 4.38Å; V307-W332 HydrophobicContact CG1-CH2 3.91Å; V307-W332 HydrophobicContact CG1-CZ2 3.77Å; V307-W332 HydrophobicContact CG1-CZ3 4.01Å; R310-W332 HydrophobicContact CB-CB 4.34Å; R310-W332 WeakPolarHBondContact CB-O 3.41Å; R310-W332 VanDerWaalsContact O-CB 3.25Å; R310-W332 WeakPolarHBondContact O-CB 3.48Å; R310-W332 PolarHBondContact O-N 3Å; E312-W332 HydrophobicContact CB-CG 4.39Å; E312-W332 VanDerWaalsContact OE2-CD1 3.31Å; W332-Q334 HydrophobicContact CH2-CB 3.6Å; W332-Q334 HydrophobicContact CH2-CG 4.19Å; W332-Q334 HydrophobicContact CZ2-CB 4.14Å; W332-Q334 HydrophobicContact CZ3-CB 4.14Å; W332-K336 PolarHBondContact NE1-O 2.85Å; W332-K336 VanDerWaalsContact NE1-O 3.15Å
333	T	85.5	Confident	92	Very high	46 Å²	46	37.4 Å²	37.4	28%	0.282	20%	0.203	S	C	.	.	B	Isolated β-bridge	trans	-148.6	125	171.1	-57.1	0	0	0	0	110.1	S229 E230 K336	S229-T333 WeakPolarHBondContact CA-OG1 3.23Å; S229-T333 WeakPolarHBondContact CB-OG1 3.32Å; S229-T333 PolarHBondContact OG-OG1 3.02Å; E230-T333 PolarHBondContact N-OG1 3.08Å; T333-K336 CarbonylContact O-C 3.56Å; T333-K336 WeakPolarHBondContact O-CA 3.32Å; T333-K336 WeakPolarHBondContact O-CB 3.25Å; T333-K336 PolarHBondContact O-N 2.86Å
334	Q	83.3	Confident	91.7	Very high	154 Å²	154	43.1 Å²	43.1	72%	0.72	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.1	139.9	174.9	-160	170.3	2.8	0	0	111.9	W332	W332-Q334 HydrophobicContact CH2-CB 3.6Å; W332-Q334 HydrophobicContact CH2-CG 4.19Å; W332-Q334 HydrophobicContact CZ2-CB 4.14Å; W332-Q334 HydrophobicContact CZ3-CB 4.14Å
335	P	80.8	Confident	91.6	Very high	126 Å²	126	43.1 Å²	43.1	82%	0.818	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	cis	-87.3	3.3	0.4	36.7	-36.6	0	0	0	114.5
336	K	77.2	Confident	91.4	Very high	131 Å²	131	43.6 Å²	43.6	57%	0.57	23%	0.229	S	C	*	.	B	Isolated β-bridge	trans	-76.6	143	-176.3	-60.2	-178.9	-179.6	179.1	0	110.5	E230 W332 T333	E230-K336 WeakPolarHBondContact OE2-CB 3.48Å; E230-K336 WeakPolarHBondContact OE2-CD 3.37Å; W332-K336 PolarHBondContact NE1-O 2.85Å; W332-K336 VanDerWaalsContact NE1-O 3.15Å; T333-K336 CarbonylContact O-C 3.56Å; T333-K336 WeakPolarHBondContact O-CA 3.32Å; T333-K336 WeakPolarHBondContact O-CB 3.25Å; T333-K336 PolarHBondContact O-N 2.86Å
337	G	86	Confident	91.2	Very high	27 Å²	27	50.3 Å²	50.3	28%	0.278	26%	0.258	S	S	.	.			trans	-176.4	173.6	178.2	0	0	0	0	0	110.5	E312	E312-G337 VanDerWaalsContact OE2-CA 3.23Å; E312-G337 WeakPolarHBondContact OE2-CA 3.21Å
338	Y	91.7	Very high	90.9	Very high	12 Å²	12	54.2 Å²	54.2	5%	0.047	28%	0.277	C	S	.	.	S	Bend	trans	-94.5	-0.1	-173.7	-62.5	-79.9	0	0	0	113.4	F52 E312 L314 L327 S329 D340 I341 V342	F52-Y338 HydrophobicContact CD2-CD1 4.34Å; F52-Y338 AromaticContact CD2-CE1 3.78Å; F52-Y338 HydrophobicContact CD2-CE1 3.78Å; F52-Y338 HydrophobicContact CD2-CE2 4.16Å; F52-Y338 AromaticContact CD2-CZ 3.68Å; F52-Y338 HydrophobicContact CE2-CE2 4.4Å; E312-Y338 WeakPolarHBondContact OE2-CD2 3.27Å; E312-Y338 PolarHBondContact OE2-N 2.91Å; L314-Y338 VanDerWaalsContact CD1-C 3.43Å; L327-Y338 HydrophobicContact CD2-CD2 4.09Å; L327-Y338 HydrophobicContact CD2-CG 3.9Å; S329-Y338 WeakPolarHBondContact OG-CE2 3.29Å; Y338-D340 PolarHBondContact O-N 2.87Å; Y338-I341 HydrophobicContact CD1-CD1 3.98Å; Y338-I341 CarbonylContact O-C 3.43Å; Y338-I341 WeakPolarHBondContact O-CA 3.26Å; Y338-I341 WeakPolarHBondContact O-CB 3.45Å; Y338-I341 PolarHBondContact O-N 3.41Å; Y338-V342 PolarHBondContact O-N 3.32Å
339	N	91.2	Very high	90.7	Very high	39 Å²	39	54.2 Å²	54.2	21%	0.209	28%	0.277	C	S	.	.	H	α-helix	trans	-53.2	-52.3	-174.6	-171.7	64.9	0	0	0	113.6	H303 R305 L314 I341 V342 S343	H303-N339 PolarHBondContact CE1-OD1 3.02Å; H303-N339 PolarHBondContact NE2-OD1 3.41Å; R305-N339 WeakPolarHBondContact CD-OD1 3.5Å; L314-N339 HydrophobicContact CD2-CB 4.13Å; L314-N339 VanDerWaalsContact CD2-OD1 3.3Å; L314-N339 WeakPolarHBondContact CD2-OD1 3.47Å; N339-I341 VanDerWaalsContact C-N 3.26Å; N339-I341 PolarHBondContact O-N 3.25Å; N339-V342 PolarHBondContact O-N 2.96Å; N339-S343 PolarHBondContact O-N 2.82Å; N339-S343 VanDerWaalsContact O-N 3.08Å; N339-S343 PolarHBondContact O-OG 3.18Å
340	D	89.8	Confident	90.4	Very high	114 Å²	114	56.7 Å²	56.7	61%	0.61	29%	0.292	S	S	*	.	H	α-helix	trans	-68.2	-29.4	179.6	-66.4	-8.4	0	0	0	112.2	Y338 K344	Y338-D340 PolarHBondContact O-N 2.87Å; D340-K344 VanDerWaalsContact O-CG 3.29Å; D340-K344 WeakPolarHBondContact O-CG 3.3Å; D340-K344 PolarHBondContact O-N 3.2Å
341	I	90.8	Very high	89.9	Confident	29 Å²	29	60.8 Å²	60.8	15%	0.149	33%	0.325	C	S	.	.	H	α-helix	trans	-70	-49.6	177.1	-64.9	172	0	0	0	109	L46 K50 Y338 N339 S343 K344 L345	L46-I341 HydrophobicContact CD2-CG2 4.03Å; K50-I341 HydrophobicContact CD-CD1 4.28Å; K50-I341 HydrophobicContact CG-CD1 4.34Å; Y338-I341 HydrophobicContact CD1-CD1 3.98Å; Y338-I341 CarbonylContact O-C 3.43Å; Y338-I341 WeakPolarHBondContact O-CA 3.26Å; Y338-I341 WeakPolarHBondContact O-CB 3.45Å; Y338-I341 PolarHBondContact O-N 3.41Å; N339-I341 VanDerWaalsContact C-N 3.26Å; N339-I341 PolarHBondContact O-N 3.25Å; I341-S343 VanDerWaalsContact C-N 3.35Å; I341-S343 PolarHBondContact O-N 2.95Å; I341-K344 WeakPolarHBondContact O-CA 3.37Å; I341-K344 WeakPolarHBondContact O-CB 3.49Å; I341-K344 PolarHBondContact O-N 2.98Å; I341-L345 HydrophobicContact CG2-CD1 3.81Å; I341-L345 HydrophobicContact CG2-CG 4.08Å; I341-L345 WeakPolarHBondContact O-CG 3.44Å; I341-L345 PolarHBondContact O-N 2.95Å
342	V	92.5	Very high	88.7	Confident	0 Å²	0	62.6 Å²	62.6	0%	0	34%	0.344	C	S	.	.	H	α-helix	trans	-60.6	-43.6	179.6	170.8	0	0	0	0	111.3	L314 D316 I325 L327 Y338 N339 K344 L345 Y346	L314-V342 HydrophobicContact CB-CB 4.24Å; L314-V342 HydrophobicContact CB-CG1 4.1Å; L314-V342 HydrophobicContact CB-CG2 3.89Å; L314-V342 HydrophobicContact CD1-CB 4.14Å; L314-V342 HydrophobicContact CD1-CG2 3.6Å; L314-V342 HydrophobicContact CG-CG2 4.32Å; D316-V342 HydrophobicContact CB-CG1 4.39Å; I325-V342 HydrophobicContact CG2-CG1 3.8Å; L327-V342 HydrophobicContact CB-CG2 3.74Å; L327-V342 HydrophobicContact CD1-CG2 3.78Å; L327-V342 HydrophobicContact CD2-CG2 4.36Å; L327-V342 HydrophobicContact CG-CG2 4.17Å; Y338-V342 PolarHBondContact O-N 3.32Å; N339-V342 PolarHBondContact O-N 2.96Å; V342-K344 PolarHBondContact O-N 3.29Å; V342-L345 PolarHBondContact O-N 3.29Å; V342-L345 VanDerWaalsContact O-N 3.16Å; V342-Y346 WeakPolarHBondContact O-CB 3.03Å; V342-Y346 PolarHBondContact O-N 3.06Å
343	S	90.4	Very high	87.2	Confident	44 Å²	44	64.2 Å²	64.2	31%	0.308	36%	0.363	S	S	.	.	H	α-helix	trans	-60.3	-31.6	174.7	-73.7	0	0	0	0	113.4	N339 I341 K347	N339-S343 PolarHBondContact O-N 2.82Å; N339-S343 VanDerWaalsContact O-N 3.08Å; N339-S343 PolarHBondContact O-OG 3.18Å; I341-S343 VanDerWaalsContact C-N 3.35Å; I341-S343 PolarHBondContact O-N 2.95Å; S343-K347 WeakPolarHBondContact O-CG 3.48Å
344	K	91.9	Very high	87.2	Confident	135 Å²	135	65.2 Å²	65.2	59%	0.587	37%	0.367	S	S	*	.	H	α-helix	trans	-75.7	-44.1	173.7	-72.4	170.3	-175.8	176.7	0	111.6	D340 I341 V342 K347 Q348	D340-K344 VanDerWaalsContact O-CG 3.29Å; D340-K344 WeakPolarHBondContact O-CG 3.3Å; D340-K344 PolarHBondContact O-N 3.2Å; I341-K344 WeakPolarHBondContact O-CA 3.37Å; I341-K344 WeakPolarHBondContact O-CB 3.49Å; I341-K344 PolarHBondContact O-N 2.98Å; V342-K344 PolarHBondContact O-N 3.29Å; K344-K347 WeakPolarHBondContact O-CB 3.18Å; K344-K347 PolarHBondContact O-N 2.86Å; K344-Q348 PolarHBondContact O-N 3.27Å
345	L	94.4	Very high	87.5	Confident	0 Å²	0	60.5 Å²	60.5	0%	0	35%	0.348	C	S	.	.	H	α-helix	trans	-62.3	-44	178.1	-67.7	179.3	0	0	0	111.1	I43 L46 L47 I325 I341 V342 K347 Q348 V349	I43-L345 HydrophobicContact CB-CD2 4.39Å; I43-L345 HydrophobicContact CG1-CB 4.44Å; I43-L345 HydrophobicContact CG1-CD2 3.93Å; I43-L345 HydrophobicContact CG2-CD1 4.16Å; I43-L345 HydrophobicContact CG2-CD2 4.44Å; L46-L345 HydrophobicContact CB-CD2 4.41Å; L46-L345 HydrophobicContact CD2-CD2 3.44Å; L46-L345 VanDerWaalsContact CD2-CD2 3.44Å; L46-L345 HydrophobicContact CD2-CG 4.15Å; L46-L345 HydrophobicContact CG-CD2 4.5Å; L47-L345 HydrophobicContact CD2-CD1 4.26Å; I325-L345 HydrophobicContact CD1-CB 3.78Å; I325-L345 HydrophobicContact CD1-CD1 3.92Å; I341-L345 HydrophobicContact CG2-CD1 3.81Å; I341-L345 HydrophobicContact CG2-CG 4.08Å; I341-L345 WeakPolarHBondContact O-CG 3.44Å; I341-L345 PolarHBondContact O-N 2.95Å; V342-L345 PolarHBondContact O-N 3.29Å; V342-L345 VanDerWaalsContact O-N 3.16Å; L345-K347 VanDerWaalsContact C-N 3.28Å; L345-K347 PolarHBondContact O-N 3.4Å; L345-Q348 WeakPolarHBondContact O-CA 3.39Å; L345-Q348 VanDerWaalsContact O-CB 3.29Å; L345-Q348 WeakPolarHBondContact O-CB 3.41Å; L345-Q348 PolarHBondContact O-N 2.85Å; L345-V349 WeakPolarHBondContact O-CG2 3.34Å; L345-V349 PolarHBondContact O-N 2.89Å
346	Y	95.3	Very high	87.8	Confident	10 Å²	10	56.8 Å²	56.8	4%	0.039	32%	0.322	C	S	.	.	H	α-helix	trans	-57	-40.1	175.7	175.7	-102	0	0	0	112.3	N301 D316 S318 I325 V342 Q348 V349 V350	N301-Y346 HydrophobicContact CB-CD1 4.29Å; N301-Y346 HydrophobicContact CB-CE1 3.4Å; N301-Y346 HydrophobicContact CB-CE2 4.46Å; N301-Y346 VanDerWaalsContact CB-CZ 3.49Å; N301-Y346 WeakPolarHBondContact CB-OH 3.43Å; D316-Y346 HydrophobicContact CB-CD1 4.32Å; D316-Y346 HydrophobicContact CB-CD2 3.61Å; D316-Y346 HydrophobicContact CB-CE2 4.29Å; D316-Y346 HydrophobicContact CB-CG 3.62Å; S318-Y346 VanDerWaalsContact CA-OH 3.22Å; S318-Y346 WeakPolarHBondContact CA-OH 3.45Å; S318-Y346 PolarHBondContact N-OH 2.92Å; I325-Y346 HydrophobicContact CG2-CD2 4.23Å; V342-Y346 WeakPolarHBondContact O-CB 3.03Å; V342-Y346 PolarHBondContact O-N 3.06Å; Y346-Q348 PolarHBondContact O-N 3.49Å; Y346-V349 WeakPolarHBondContact O-CA 3.4Å; Y346-V349 WeakPolarHBondContact O-CB 3.39Å; Y346-V349 PolarHBondContact O-N 2.63Å; Y346-V350 HydrophobicContact CE1-CG1 3.91Å; Y346-V350 HydrophobicContact CE1-CG2 4.32Å; Y346-V350 HydrophobicContact CE2-CG1 3.84Å; Y346-V350 VanDerWaalsContact CZ-CG1 3.46Å; Y346-V350 PolarHBondContact O-N 3.28Å; Y346-V350 WeakPolarHBondContact OH-CG1 3.22Å
347	K	93.4	Very high	88.5	Confident	143 Å²	143	52.5 Å²	52.5	62%	0.622	31%	0.307	S	S	*	.	H	α-helix	trans	-60.4	-33.9	174.7	-71.6	173.2	-175.3	-179.7	0	112.5	S343 K344 L345 V350 A351	S343-K347 WeakPolarHBondContact O-CG 3.48Å; K344-K347 WeakPolarHBondContact O-CB 3.18Å; K344-K347 PolarHBondContact O-N 2.86Å; L345-K347 VanDerWaalsContact C-N 3.28Å; L345-K347 PolarHBondContact O-N 3.4Å; K347-V350 WeakPolarHBondContact O-CG2 3.4Å; K347-A351 VanDerWaalsContact O-CB 3.23Å; K347-A351 WeakPolarHBondContact O-CB 3.43Å; K347-A351 PolarHBondContact O-N 3.1Å
348	Q	92.3	Very high	88.6	Confident	82 Å²	82	54.1 Å²	54.1	38%	0.383	31%	0.309	S	S	.	.	H	α-helix	trans	-69.7	-38.6	173.8	-58.3	175	5.1	0	0	111.4	T39 K344 L345 Y346 V350 A351 G352	T39-Q348 HydrophobicContact CG2-CB 4.33Å; T39-Q348 WeakPolarHBondContact CG2-O 3.38Å; K344-Q348 PolarHBondContact O-N 3.27Å; L345-Q348 WeakPolarHBondContact O-CA 3.39Å; L345-Q348 VanDerWaalsContact O-CB 3.29Å; L345-Q348 WeakPolarHBondContact O-CB 3.41Å; L345-Q348 PolarHBondContact O-N 2.85Å; Y346-Q348 PolarHBondContact O-N 3.49Å; Q348-V350 PolarHBondContact O-N 3.29Å; Q348-A351 PolarHBondContact O-N 3.08Å; Q348-G352 PolarHBondContact O-N 3.44Å; Q348-G352 VanDerWaalsContact O-N 3.14Å
349	V	93.2	Very high	88.4	Confident	0 Å²	0	56.9 Å²	56.9	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-58.4	-46.4	175.1	-178.4	0	0	0	0	111	I43 V58 F59 Q60 N323 L345 Y346	I43-V349 HydrophobicContact CD1-CG2 3.67Å; V58-V349 HydrophobicContact CG1-CG1 4.16Å; V58-V349 HydrophobicContact CG1-CG2 3.55Å; F59-V349 WeakPolarHBondContact O-CG1 3.47Å; Q60-V349 HydrophobicContact CG-CG1 3.59Å; Q60-V349 PolarHBondContact NE2-O 2.66Å; N323-V349 HydrophobicContact CB-CG1 4.32Å; L345-V349 WeakPolarHBondContact O-CG2 3.34Å; L345-V349 PolarHBondContact O-N 2.89Å; Y346-V349 WeakPolarHBondContact O-CA 3.4Å; Y346-V349 WeakPolarHBondContact O-CB 3.39Å; Y346-V349 PolarHBondContact O-N 2.63Å
350	V	91.5	Very high	88.2	Confident	52 Å²	52	58.1 Å²	58.1	32%	0.315	34%	0.335	S	S	.	.	H	α-helix	trans	-82.4	-17.8	-179.8	-63.6	0	0	0	0	114.7	N323 Y346 K347 Q348 S353	N323-V350 HydrophobicContact CB-CG1 4.16Å; Y346-V350 HydrophobicContact CE1-CG1 3.91Å; Y346-V350 HydrophobicContact CE1-CG2 4.32Å; Y346-V350 HydrophobicContact CE2-CG1 3.84Å; Y346-V350 VanDerWaalsContact CZ-CG1 3.46Å; Y346-V350 PolarHBondContact O-N 3.28Å; Y346-V350 WeakPolarHBondContact OH-CG1 3.22Å; K347-V350 WeakPolarHBondContact O-CG2 3.4Å; Q348-V350 PolarHBondContact O-N 3.29Å; V350-S353 VanDerWaalsContact C-OG 3.3Å; V350-S353 WeakPolarHBondContact CA-OG 3.32Å; V350-S353 PolarHBondContact O-OG 3.23Å
351	A	87	Confident	88.1	Confident	85 Å²	85	53.8 Å²	53.8	70%	0.702	31%	0.314	S	S	*	.	H	α-helix	trans	-80	-25.4	175.2	0	0	0	0	0	112.4	K347 Q348	K347-A351 VanDerWaalsContact O-CB 3.23Å; K347-A351 WeakPolarHBondContact O-CB 3.43Å; K347-A351 PolarHBondContact O-N 3.1Å; Q348-A351 PolarHBondContact O-N 3.08Å
352	G	71.7	Confident	87.9	Confident	42 Å²	42	55.9 Å²	55.9	43%	0.433	33%	0.328	S	S	.	.			trans	-95.4	3.4	176.9	0	0	0	0	0	114.7	Q348	Q348-G352 PolarHBondContact O-N 3.44Å; Q348-G352 VanDerWaalsContact O-N 3.14Å
353	S	60.8	Low	87.4	Confident	78 Å²	78	61 Å²	61	55%	0.545	36%	0.358	S	S	.	.			trans	-89	0	174.8	52.9	0	0	0	0	111.4	H61 V350	H61-S353 PolarHBondContact CE1-OXT 3.13Å; H61-S353 WeakPolarHBondContact NE2-CB 3.37Å; H61-S353 PolarHBondContact NE2-OXT 3.31Å; H61-S353 VanDerWaalsContact NE2-OXT 3.09Å; V350-S353 VanDerWaalsContact C-OG 3.3Å; V350-S353 WeakPolarHBondContact CA-OG 3.32Å; V350-S353 PolarHBondContact O-OG 3.23Å

Retrieved 353 of 353 residues in 507.5 ms (Link to these results)

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